SCHEMBL172226

SCHEMBL172226

CCCN(CCC)CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL11361703 0.92 DRD2 (0.41) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL13472656 0.91 DRD2 (0.41) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL10035081 0.90 DRD2 (0.40) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL17704226 0.89 DRD2 (0.40) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL13662616 0.89 DRD2 (0.40) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL12443378 0.89 KDM4E (0.40) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL26242405 0.87 CYP1A2 (0.44) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL26504009 0.85 DRD2 (0.38) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL3428866 0.85 KDM4E (0.39) DRD2DRD3KDM4EHSD17B10ALDH1A1
SCHEMBL13995265 0.85 DRD2 (0.38) DRD2DRD3KDM4EHSD17B10ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
WO-2018058109-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. (US) 2018-03-29 WO disclosed
EP-2300013-B1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2017-09-06 EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
WO-2015116696-A1 COMBINATION THERAPIES AND METHODS OF USE THEREOF FOR TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-08-06 WO disclosed
US-8546566-B2 Process for manufacturing dihydropteridinones and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD2 3064/4885DRD3 3468/4885KDM4E 1022/4885
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR DRD2 4824/4885DRD3 4795/4885KDM4E 2957/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD2 3064/4885DRD3 3468/4885KDM4E 1022/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD2 3064/4885DRD3 3468/4885KDM4E 1022/4885
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 DRD2 4084/4885DRD3 3658/4885KDM4E 672/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE DRD2 3064/4885DRD3 3468/4885KDM4E 1022/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD2 3064/4885DRD3 3468/4885KDM4E 1022/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD2 3064/4885DRD3 3468/4885KDM4E 1022/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR DRD2 4824/4885DRD3 4795/4885KDM4E 2957/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.