SCHEMBL6076327

SCHEMBL6076327

CONCc1ccc(F)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.38
AR P10275 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CHRNA7 P36544 1/20 0.36
VNN1 O95497 1/20 0.36
HTR2A P28223 1/20 0.35
CHKA P35790 1/20 0.35
CACNA1H O95180 2/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
PLA2G7 Q13093 1/20 0.34
AKR1B1 P15121 1/20 0.34
FSCN1 Q16658 1/20 0.34
GPR6 P46095 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL25488907 0.83 LOXL2 (0.50) TRPV3ARTRPV4CHRNA7VNN1
SCHEMBL51841 0.81 TRPV4 (0.41) TRPV3ARTRPV4CHRNA7VNN1
SCHEMBL6076780 0.79 KDM1A (0.41) TRPV3VNN1
SCHEMBL13172967 0.78 PTGDR2 (0.46) ARTRPV4CHKADPP4DPP8
SCHEMBL25489342 0.77 CACNA1H (0.39) TRPV3ARTRPV4CHRNA7VNN1
Hydrochloric Acid SCHEMBL28803208 0.77 MAPT (0.40) TRPV3ARTRPV4CHRNA7VNN1
SCHEMBL6077290 0.76 PTPN7 (0.47)
SCHEMBL8224122 0.75 CYP2A6 (0.47) ARTRPV4CHKACACNA1HDPP4
SCHEMBL3104099 0.75 GAA (0.48) VNN1CACNA1HDPP4DPP8
SCHEMBL24872544 0.75 TRPV4 (0.45) ARTRPV4VNN1CHKACACNA1H

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-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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 (2 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF TRPV3 4656/4885AR 882/4885TRPV4 4706/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 TRPV3 3861/4885AR 333/4885TRPV4 3978/4885

“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.