SCHEMBL411071

SCHEMBL411071

N#Cc1cc(CBr)cc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.35
CHKA P35790 1/20 0.31
DAO P14920 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KHK P50053 1/20 0.31
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30

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
SCHEMBL30048138 1.00 TRPV4 (0.35) TRPV4CHKADAOMAOAMAOB
SCHEMBL27851605 0.85 TRPV4 (0.33) TRPV4CHKADAO
SCHEMBL20095954 0.82 TRPV4 (0.34) TRPV4CHKADAOMAOAMAOB
SCHEMBL391029 0.78 CES2 (0.36) MAOB
SCHEMBL17316422 0.77 TRPV4 (0.52) TRPV4
SCHEMBL26291196 0.77 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL29413279 0.76 TRPV4 (0.42) TRPV4CHKADAOMAOAMAOB
SCHEMBL240133 0.76 TRPV4 (0.57) TRPV4DAOMAOAMAOBCYP11B1
SCHEMBL51855 0.76 TRPV4 (0.42) TRPV4CHKADAOMAOAMAOB
SCHEMBL29560065 0.72 TRPV4 (0.39) TRPV4MAOAMAOBKHKCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
EP-4330232-A1 GPR52 MODULATORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2024-03-06 EP disclosed
WO-2022232017-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2022-11-03 WO disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 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 (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-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 TRPV4 488/4885CHKA 1653/4885DAO 3183/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB TRPV4 3568/4885CHKA 3466/4885DAO 1254/4885

“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.