SCHEMBL51841

SCHEMBL51841

N#Cc1cc(CNCc2ccc(F)c(C#N)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
VNN1 O95497 1/20 0.39
AR P10275 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GRM4 Q14833 1/20 0.36
TRPV3 Q8NET8 2/20 0.36
CACNA1H O95180 2/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
CHRNA7 P36544 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 0.87 LOXL2 (0.50) TRPV4VNN1ARDPP4DPP8
SCHEMBL318464 0.84 ADH1B (0.42) TRPV4VNN1ARDPP4DPP8
SCHEMBL29577056 0.84 OXTR (0.49) VNN1MAOAMAOBGRM4CACNA1H
SCHEMBL28892342 0.84 OXTR (0.49) VNN1MAOAMAOBGRM4CACNA1H
Hydrochloric Acid SCHEMBL28803208 0.84 MAPT (0.40) TRPV4VNN1ARDPP4DPP8
SCHEMBL24872544 0.82 TRPV4 (0.45) TRPV4VNN1ARDPP4DPP8
SCHEMBL6076327 0.81 TRPV3 (0.38) TRPV4VNN1ARDPP4DPP8
SCHEMBL25489342 0.81 CACNA1H (0.39) TRPV4VNN1ARDPP4DPP8
SCHEMBL13179910 0.80 TRPV4 (0.44) TRPV4VNN1ARDPP4DPP8
SCHEMBL2975866 0.79 TRPV4 (0.40) TRPV4VNN1ARDPP4DPP8

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
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG TRPV4 4702/4885VNN1 1626/4885AR 2036/4885

“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.