SCHEMBL1762890

SCHEMBL1762890

Cc1cc(N2CCC(CCC(=O)O)CC2)c2c(C)c(C)n(-c3c(C)cc(Br)cc3C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.35
KHK P50053 1/20 0.35
CRHR1 P34998 2/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TPH1 P17752 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1762766 0.95 CRHR1 (0.37) FFAR4CRHR1KDM4EUSP2HPGD
SCHEMBL1763043 0.91 TPH1 (0.36) FFAR4KHKCRHR1KDM4EUSP2
SCHEMBL1762817 0.91 FFAR4 (0.41) FFAR4
SCHEMBL1636119 0.89 TDP1 (0.37) CRHR1KDM4ETDP1
SCHEMBL12593376 0.88 CRHR1 (0.41) CRHR1KDM4ETDP1
SCHEMBL1762878 0.88 FFAR4 (0.34) FFAR4KHKCRHR1KDM4EUSP2
SCHEMBL1637854 0.87 TDP1 (0.40) CRHR1KDM4ETDP1
SCHEMBL1637184 0.86 CRHR1 (0.37) CRHR1KDM4ETDP1
SCHEMBL12593336 0.85 CRHR1 (0.40) CRHR1KDM4ETDP1
SCHEMBL1762546 0.85 CRHR1 (0.51) FFAR4KHKCRHR1USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US claimed
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-13 US claimed
EP-1953160-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as CRF antagonists TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-08-06 EP claimed
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-13 US disclosed
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-13 US disclosed
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-13 US disclosed
EP-1953160-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as CRF antagonists TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-08-06 EP disclosed
EP-1758903-A1 PYRROLOPYRAMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-03-07 EP disclosed
WO-2006001511-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP 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 (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-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists CRHR1, CRHR2, HRH4 FFAR4 107/4885KHK 4354/4885CRHR1 1/4885
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 FFAR4 90/4885KHK 4332/4885CRHR1 1/4885

“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.