SCHEMBL1430767

SCHEMBL1430767

CCc1ccc(-c2cn(-c3cc(F)cc(C(=O)O)c3)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 17/20 0.57
TSPO P30536 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
S1PR1 P21453 1/20 0.53
OPRD1 P41143 3/20 0.52
KCNH2 Q12809 2/20 0.52
STS P08842 1/20 0.50
STIM1 Q13586 1/20 0.48
ORAI1 Q96D31 1/20 0.48

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
SCHEMBL1429948 0.85 STIM1 (0.58) P2RY14TSPOTMEM97S1PR1OPRD1
SCHEMBL1429953 0.84 STIM1 (0.62) P2RY14TSPOTMEM97S1PR1STIM1
SCHEMBL1430355 0.80 STIM1 (0.48) P2RY14TSPOTMEM97S1PR1OPRD1
SCHEMBL1429851 0.80 S1PR1 (0.55) P2RY14TSPOTMEM97S1PR1STIM1
SCHEMBL20534223 0.79 P2RY14 (0.87) P2RY14OPRD1
SCHEMBL12420391 0.78 STS (0.59) S1PR1STSSTIM1ORAI1
SCHEMBL12420394 0.78 PTGS2 (0.63) S1PR1
SCHEMBL12420393 0.75 S1PR1 (0.58) S1PR1STIM1ORAI1
SCHEMBL2711661 0.75 STIM1 (0.67) P2RY14STSSTIM1ORAI1
SCHEMBL29531298 0.75 BRD4 (0.50) P2RY14OPRD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US claimed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US claimed
CN-102076670-A Compounds and methods for modulating g protein-coupled receptors IRM LLC 2011-05-25 CN claimed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP claimed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 WO claimed
CN-102076670-B Compounds and methods for modulating g protein-coupled receptors IRM LLC 2013-05-22 CN disclosed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
CN-102076670-A Compounds and methods for modulating g protein-coupled receptors IRM LLC 2011-05-25 CN disclosed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP disclosed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 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-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 P2RY14 391/4885TSPO 581/4885TMEM97 548/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 P2RY14 391/4885TSPO 581/4885TMEM97 548/4885

“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.