SCHEMBL5311658

SCHEMBL5311658

Cc1cc(O)c2c(C)cn(-c3c(C)cc(Br)cc3C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.35
FPR3 P25089 2/20 0.35
TSPO P30536 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PRNP P04156 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOD2 Q9HC29 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MPI P34949 1/20 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
SCHEMBL14277088 0.85 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97LMNA
SCHEMBL1638418 0.85 CRHR1 (0.43) CRHR1FPR3TSPOTMEM97LMNA
SCHEMBL1762920 0.83 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97HPGD
SCHEMBL1762665 0.82 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97RXFP1
SCHEMBL1636385 0.73 CRHR1 (0.43) CRHR1FPR3TSPOTMEM97RXFP1
SCHEMBL12593286 0.73 CRHR1 (0.36) CRHR1LMNAL3MBTL1HPGDHTT
SCHEMBL1636320 0.72 CRHR1 (0.36) CRHR1FPR3TSPOTMEM97HPGD
SCHEMBL12593381 0.72 CRHR1 (0.33) CRHR1KDM4EALDH1A1
SCHEMBL5311531 0.72 ESR2 (0.32)
SCHEMBL1636991 0.71 CRHR1 (0.35) CRHR1HTTKDM4E

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-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
EP-1781652-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-09 EP disclosed
WO-2006001501-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 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-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists HRH4, HRH2, HRH1 CRHR1 4/4885FPR3 163/4885TSPO 1516/4885

“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.