SCHEMBL2436696

SCHEMBL2436696

N#CC1(CCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
OPRM1 P35372 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
OPRL1 P41146 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.37
DPP4 P27487 1/20 0.37
CYP2A6 P11509 1/20 0.37
HTR2A P28223 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL24481846 0.91 KDM1A (0.43) KDM1AOPRM1SMN1; SMN2MAOAMAOB
SCHEMBL14905909 0.88 MEN1 (0.41) KDM1AOPRM1SMN1; SMN2MAOAMAOB
Hydrochloric Acid SCHEMBL27153631 0.86 MEN1 (0.40) KDM1AOPRM1SMN1; SMN2MAOAMAOB
SCHEMBL14902474 0.85 OPRM1 (0.36) KDM1AOPRM1SMN1; SMN2OPRL1KCNH2
SCHEMBL14902456 0.85 OPRM1 (0.45) OPRM1SMN1; SMN2OPRL1ALDH1A1KCNH2
SCHEMBL14902471 0.84 OPRM1 (0.60) OPRM1SMN1; SMN2OPRL1ALDH1A1HSD17B10
SCHEMBL14902457 0.81 CYP2D6 (0.46) OPRM1SMN1; SMN2OPRL1ALDH1A1MEN1
SCHEMBL4678353 0.79 MAOA (0.48) KDM1AOPRM1SMN1; SMN2MAOAMAOB
SCHEMBL14902460 0.79 CYP2D6 (0.51) SMN1; SMN2ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL14902431 0.79 NPC1 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
WO-2006094201-A2 SEMICARBAZIDE-SENSITIVE AMIDE OXIDASE INHIBITORS LA JOLLA PHARMACEUTICAL COMPANY (US) 2006-09-08 WO disclosed
EP-1663954-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL CO. (US) 2006-06-07 EP disclosed
US-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICALS COMPANY 2005-05-05 US disclosed
WO-2005014530-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL CO. (US) 2005-02-17 WO 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 (1 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-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC3 KDM1A 452/4885OPRM1 486/4885SMN1; SMN2 807/4885

“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.