SCHEMBL4716401

SCHEMBL4716401

Clc1ccc(-c2cc(Nc3cccc4cnccc34)ncn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDR P35968 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.43
PDE4B Q07343 1/20 0.41

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
SCHEMBL4717106 0.91 TRPV1 (0.43) TRPV1ALDH1A1LMNAHPGDHTT
SCHEMBL4718692 0.89 TRPV1 (0.49) TRPV1ALDH1A1KDM4EMAPTKDR
SCHEMBL4716052 0.89 PDE4B (0.51) TRPV1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL4718504 0.88 TRPV1 (0.59) TRPV1ALDH1A1LMNAHPGDHTT
SCHEMBL4719637 0.86 TRPV1 (0.48) TRPV1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4716096 0.85 TRPV1 (0.46) TRPV1ALDH1A1HTTFAAHPDE4B
SCHEMBL4718513 0.85 ALDH1A1 (0.53) TRPV1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4717175 0.85 ALDH1A1 (0.50) TRPV1ALDH1A1LMNAHPGDHTT
SCHEMBL4715609 0.85 ACP1 (0.52) TRPV1ALDH1A1LMNAMAPTTP53
SCHEMBL4718637 0.85 TRPV1 (0.55) TRPV1KDRFAAHABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 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-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 TRPV1 40/4885ALDH1A1 2473/4885LMNA 4537/4885

“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.