SCHEMBL4718692

SCHEMBL4718692

c1ccc(-c2ccc(-c3cc(Nc4cccc5cnccc45)ncn3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.49
PDE4B Q07343 1/20 0.49
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
BACE1 P56817 2/20 0.43
PRKCZ Q05513 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
ACP1 P24666 1/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
CCR4 P51679 1/20 0.40
USP2 O75604 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4716052 0.98 PDE4B (0.51) TRPV1PDE4BMAPTTP53CYP1A2
SCHEMBL4718504 0.89 TRPV1 (0.59) TRPV1PDE4BMAPTTP53ALDH1A1
SCHEMBL4716401 0.89 TRPV1 (0.48) TRPV1PDE4BMAPTTP53ALDH1A1
SCHEMBL4719637 0.89 TRPV1 (0.48) TRPV1PDE4BMAPTCYP1A2CYP3A4
SCHEMBL4716096 0.86 TRPV1 (0.46) TRPV1PDE4BCYP1A2CYP3A4CLK4
SCHEMBL4718513 0.86 ALDH1A1 (0.53) TRPV1PDE4BMAPTTP53CYP1A2
SCHEMBL4715609 0.86 ACP1 (0.52) TRPV1MAPTTP53CYP1A2CYP3A4
SCHEMBL4716832 0.86 TRPV1 (0.67) TRPV1ABL1BCR
SCHEMBL4717175 0.86 ALDH1A1 (0.50) TRPV1PDE4BMAPTTP53CYP1A2
SCHEMBL4718637 0.86 TRPV1 (0.55) TRPV1ABL1BCRCCR4KDR

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 40/4885PDE4B 4041/4885MAPT 4864/4885

“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.