SCHEMBL786129

SCHEMBL786129

O=Cc1ccnc(N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 5/20 0.49
▸ HRH4 Q9H3N8 2/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.43
▸ PIK3CA P42336 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL29886325 1.00 ALDH1A3 (0.49) ALDH1A3HRH4ALDH1A1SMN1; SMN2TRIM24
SCHEMBL14232379 0.98 HRH4 (0.50) ALDH1A3HRH4ALDH1A1SMN1; SMN2TRIM24
SCHEMBL19547056 0.85 HRH4 (0.55) HRH4ALDH1A1KDM4E
SCHEMBL1715756 0.85 PIK3CA (0.57) ALDH1A3ALDH1A1SMN1; SMN2KDM4EPIK3CA
SCHEMBL23048714 0.81 HRH3 (0.41) HRH4ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL23048878 0.81 HRH3 (0.42) —
SCHEMBL23048648 0.81 HRH3 (0.45) HRH4ALDH1A1KDM4EMAPTLRRK2
SCHEMBL1914424 0.81 MAPT (0.48) HRH4ALDH1A1SMN1; SMN2TRIM24TRIM33
SCHEMBL11998350 0.81 PTPN11 (0.43) —
SCHEMBL23048742 0.81 PIK3CA (0.38) ALDH1A3HRH4ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104619328-B The condensed quinoline alkane glucocorticoid receptor modulator of heteroaryl -one 科赛普特治疗学股份有限公司 2018-10-02 — — CN claimed
CN-104619328-A Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS INC 2015-05-13 — — CN claimed
CN-104619328-B The condensed quinoline alkane glucocorticoid receptor modulator of heteroaryl -one 科赛普特治疗学股份有限公司 2018-10-02 — — CN disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 — — US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 — — US disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 — — US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 — — US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 — — US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 — — EP disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 — — US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 — — US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 — — WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 — — EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 — — WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 — — WO disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 — — WO disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 — — 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 (4 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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG ALDH1A3 3872/4885HRH4 2688/4885ALDH1A1 3699/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG ALDH1A3 3872/4885HRH4 2688/4885ALDH1A1 3699/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A3 3840/4885HRH4 10/4885ALDH1A1 3363/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A3 2416/4885HRH4 5/4885ALDH1A1 1267/4885

“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.

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