SCHEMBL3154658

SCHEMBL3154658

CCC(=O)NCC1CCCO1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HPGD P15428 6/20 0.68
TP53 P04637 1/20 0.68
ALOX12 P18054 1/20 0.68
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL26789172 1.00 USP2 (0.70) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL26789169 1.00 USP2 (0.70) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL9383 0.95 USP2 (0.63) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL26791819 0.91 USP2 (0.56) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1705700 0.86 USP2 (0.76) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL17777039 0.86 USP2 (0.76) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL24324224 0.83 USP2 (0.62) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL20687625 0.83 MTNR1A (0.49) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL24323573 0.83 SMN1; SMN2 (0.66) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL4051295 0.82 SMN1; SMN2 (0.70) USP2SMN1; SMN2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978425-A2 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-02-03 EP claimed
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 WO claimed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
WO-2019075259-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS CORNELL UNIVERSITY (US) 2019-04-18 WO disclosed
US-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
WO-2017134188-A1 NOVEL DIHYDROPYRIDINONE AND DIHYDROPYRIMIDINONE COMPOUNDS AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2017-08-10 WO disclosed
EP-2964617-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 WO disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 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-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 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-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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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 (8 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 USP2 3325/4885SMN1; SMN2 3178/4885HPGD 2052/4885
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists TRPV1, TRPV2, TRPV5 USP2 4263/4885SMN1; SMN2 643/4885HPGD 1823/4885
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE USP2 2600/4885SMN1; SMN2 4559/4885HPGD 2482/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE USP2 2600/4885SMN1; SMN2 4559/4885HPGD 2482/4885
US-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 USP2 2298/4885SMN1; SMN2 10/4885HPGD 1197/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE USP2 2600/4885SMN1; SMN2 4559/4885HPGD 2482/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE USP2 2600/4885SMN1; SMN2 4559/4885HPGD 2482/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 USP2 2092/4885SMN1; SMN2 4876/4885HPGD 1286/4885

“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.