SCHEMBL3372270

SCHEMBL3372270

CCCN(C)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.50
ADH1C P00326 3/20 0.50
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 2/20 0.35
HTR1D P28221 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR1B P28222 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB11 O95342 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL17046171 0.97 ADH1A (0.48) ADH1AADH1CHRH4HRH3DRD2
SCHEMBL25510772 0.97 ADH1A (0.52) ADH1AADH1CHRH4HRH3DRD2
SCHEMBL5253027 0.97 ADH1A (0.52) ADH1AADH1CHRH4HRH3DRD2
SCHEMBL4754736 0.97
SCHEMBL8279455 0.97
SCHEMBL17046153 0.95 ADH1A (0.50) ADH1AADH1CHRH4HRH3DRD2
Hydrochloric Acid SCHEMBL5379324 0.95 ADH1A (0.45) ADH1AADH1CHRH4HRH3DRD2
SCHEMBL4756560 0.89
SCHEMBL95571 0.89
Hydrochloric Acid SCHEMBL6609957 0.86

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-10294250-B2 Organoaminosilanes and methods for making same VERSUM MATERIALS US, LLC (US) 2019-05-21 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20170204120-A1 Organoaminosilanes and Methods for Making Same VERSUM MATERIALS US, LLC (US) 2017-07-20 US disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 EP disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
CN-103102303-B As the benzyl amine derivative of CETP inhibitor DR. REDDY'S LABORATORIES LTD. (IN) 2015-10-28 CN disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 WO disclosed
CN-103102303-A Benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC 2013-05-15 CN disclosed
CN-101443006-B Novel benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC 2012-10-10 CN disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
CN-101443006-A Novel benzylamine derivatives as CETP inhibitors REDDY US THERAPEUTICS INC (US) 2009-05-27 CN disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
EP-1599167-B1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES HAVING AFFINITY FOR THE MELANOCORTIN RECEPTORS AND USE THEREOF AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2007-10-03 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 (4 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-20170204120-A1 Organoaminosilanes and Methods for Making Same DDAH1, IDUA, DDT ADH1A 160/4885ADH1C 498/4885HRH4 753/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ADH1A 412/4885ADH1C 511/4885HRH4 1106/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT ADH1A 3056/4885ADH1C 3227/4885HRH4 2556/4885
US-10294250-B2 Organoaminosilanes and methods for making same DDAH1, IDUA, DDT ADH1A 160/4885ADH1C 498/4885HRH4 753/4885

“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.