SCHEMBL491463

SCHEMBL491463

CSc1[c]ccc(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 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
SCHEMBL1638196 0.82 ALDH1A1 (0.34) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL1637912 0.79 ALDH1A1 (0.32) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL15067062 0.73 LMNA (0.38) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL2444018 0.71 LMNA (0.41) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL677008 0.71 LMNA (0.37) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL6689004 0.71
SCHEMBL40745 0.71 MCL1 (0.31)
SCHEMBL1637873 0.70 LMNA (0.35) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL1031444 0.70 LMNA (0.35) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL16736879 0.70 PTGS1 (0.43) ALDH1A1GAAALOX12HTTHIF1A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8106194-B2 Pyrrolopyrimidine and pyrrolotriazine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20110137031-A1 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 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-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7557111-B2 Substituted thieno[3,2-d]pyrimidines as CRF receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-07 US disclosed
US-20090111835-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 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
CN-1692115-A Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2005-11-02 CN disclosed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 US disclosed
WO-2005085253-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 WO disclosed
WO-2005066178-A1 TRIAZA-CYCLOPENTA[CD]INDENE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
WO-2005066142-A2 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
WO-2005066182-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO disclosed
US-5258361-A Antigrowth agents biological ROHM AND HAAS COMPANY (US) 1993-11-02 US 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 (5 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-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 ALDH1A1 3369/4885GAA 1921/4885ALOX12 1047/4885
US-20110137031-A1 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES HRH2, CRHR1, HRH4 ALDH1A1 3682/4885GAA 910/4885ALOX12 412/4885
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group HRH2, HRH4, HRH1 ALDH1A1 3446/4885GAA 2580/4885ALOX12 919/4885
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 ALDH1A1 3152/4885GAA 2461/4885ALOX12 977/4885
US-20090111835-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH3, HRH4 ALDH1A1 3401/4885GAA 698/4885ALOX12 642/4885

“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.