SCHEMBL3136935

SCHEMBL3136935

COc1ccc(CNOC2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 2/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.44

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
SCHEMBL7488707 0.84 HTT (0.50) SMN1; SMN2ALDH1A1KMT2AEPHX2KDM4E
SCHEMBL5561161 0.79 ALDH1A1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5561106 0.78 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4447989 0.77 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8313950 0.76 SSTR3 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1357212 0.76 ALDH1A1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL29336471 0.75 HTT (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL923407 0.75 MEN1 (0.64) RAB9AALDH1A1KMT2AKDM4ETSHR
SCHEMBL6076678 0.74 ALDH1A1 (0.57) NPC1RAB9AALDH1A1KMT2AHTT
SCHEMBL18615761 0.74 NAAA (0.54) EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329911-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-11 US disclosed
US-7642355-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(5-[4-(3-dimethylaminopropoxy)benzylamino]pentylcarbamoyl)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-01-05 US disclosed
US-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 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 (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-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 NPC1 2695/4885RAB9A 1859/4885SMN1; SMN2 4327/4885

“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.