SCHEMBL4716104

SCHEMBL4716104

CCOc1ccc(-c2cc(Nc3cccc4cnccc34)ncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
THRB P10828 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FAAH O00519 1/20 0.48
TRPV1 Q8NER1 4/20 0.45
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
NPC1 O15118 1/20 0.41
ACP1 P24666 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PTGDR Q13258 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 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
SCHEMBL4715609 0.89 ACP1 (0.52) MAPTLMNAALDH1A1FAAHTRPV1
SCHEMBL4717175 0.87 ALDH1A1 (0.50) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL4716752 0.87 TRPV1 (0.45) MAPTLMNAKDM4EALDH1A1THRB
SCHEMBL4718692 0.85 TRPV1 (0.49) MAPTKDM4EALDH1A1TRPV1ACP1
SCHEMBL4716788 0.84 ABL1 (0.60) MAPTKDM4EFAAHTRPV1ABL1
SCHEMBL4716052 0.84 PDE4B (0.51) MAPTKDM4EALDH1A1SMN1; SMN2TRPV1
SCHEMBL4718504 0.84 TRPV1 (0.59) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4719637 0.84 TRPV1 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2TRPV1
SCHEMBL4716401 0.84 TRPV1 (0.48) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4716096 0.83 TRPV1 (0.46) ALDH1A1FAAHTRPV1ABL1BCR

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 MAPT 4864/4885LMNA 4537/4885KDM4E 4502/4885

“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.