SCHEMBL5694869

SCHEMBL5694869

NCC1(CCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
CYP2A6 P11509 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOA P21397 6/20 0.44
MAOB P27338 5/20 0.44
KDM1A O60341 2/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRM1 P35372 3/20 0.40
OPRL1 P41146 2/20 0.40
GAA P10253 1/20 0.40
OPRD1 P41143 1/20 0.40
DPP4 P27487 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL25401977 0.90 DPP4 (0.44) HTR2ATAAR1LOXL2CYP2A6SMN1; SMN2
SCHEMBL14902496 0.84 HTR2A (0.38) HTR2ATAAR1LOXL2CYP2A6SMN1; SMN2
SCHEMBL14902489 0.84 ALDH1A1 (0.50) ALDH1A1OPRM1GAAOPRD1
SCHEMBL14902488 0.83 GAA (0.58) ALDH1A1CYP2C19OPRM1OPRL1GAA
SCHEMBL28720281 0.82 KDM1A (0.47) HTR2ATAAR1LOXL2CYP2A6SMN1; SMN2
SCHEMBL14902490 0.81 ALDH1A1 (0.56) ALDH1A1CYP2D6OPRM1OPRL1GAA
SCHEMBL2406757 0.80 TAAR1 (0.52) TAAR1MAOBKDM1A
SCHEMBL14902486 0.79 NPC1 (0.51) ALDH1A1OPRM1GAAOPRD1
SCHEMBL5320724 0.79 ALDH1A1 (0.50) HTR2ATAAR1LOXL2CYP2A6SMN1; SMN2
SCHEMBL3614196 0.78 MAOA (0.56) HTR2ATAAR1LOXL2CYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 1662/4885TAAR1 136/4885LOXL2 217/4885

“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.