SCHEMBL2966923

SCHEMBL2966923

O=C1NCN2CCNCC12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.38
HTR2C P28335 11/20 0.37
HTR2A P28223 4/20 0.37
HTR2B P41595 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR6 P50406 1/20 0.34

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
SCHEMBL337063 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ETAAR1HTR2CHTR2A
SCHEMBL25043852 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ETAAR1HTR2CHTR2A
Hydrochloric Acid SCHEMBL29792081 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ETAAR1HTR2CHTR2A
Hydrochloric Acid SCHEMBL26110115 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ETAAR1HTR2CHTR2A
Hydrochloric Acid SCHEMBL26110112 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ETAAR1HTR2CHTR2A
SCHEMBL25045131 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1HTR2CHTR2A
SCHEMBL30282930 0.73 HTR2C (0.42) ALDH1A1KDM4ETAAR1HTR2CHTR2A
SCHEMBL460242 0.71
SCHEMBL17977106 0.69 KDM4E (0.66) ALDH1A1KDM4ETAAR1HTR6
SCHEMBL14839458 0.69 TAAR1 (0.50) ALDH1A1KDM4ETAAR1HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3697410-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TEIJIN PHARMA LTD (JP) 2024-12-18 EP claimed
US-10273238-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2019-04-30 US claimed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US claimed
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US claimed
US-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-08-02 US claimed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US claimed
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP claimed
US-9879016-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2018-01-30 US claimed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US claimed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO claimed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US claimed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US claimed
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US claimed
CN-115315272-A Targeting difunctional degradation agent 耶鲁大学 2022-11-08 CN disclosed
WO-2022171072-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海维申医药有限公司 2022-08-18 WO disclosed
US-10273238-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2019-04-30 US disclosed
EP-1122257-B1 Benzimidazole compounds as ORL1-receptor agonists PFIZER (US) 2005-10-12 EP disclosed
US-6861425-B2 Benzimidazole compounds as ORL1-receptor agonists PFIZER, INC. (US) 2005-03-01 US disclosed
US-20020049212-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER PRODUCTS INC. 2002-04-25 US disclosed
EP-1122257-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-08-08 EP 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 (9 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-20020049212-A1 Benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OGFRL1 ALDH1A1 325/4885KDM4E 3229/4885TAAR1 508/4885
US-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A ALDH1A1 930/4885KDM4E 4258/4885TAAR1 2136/4885
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A ALDH1A1 930/4885KDM4E 4258/4885TAAR1 2136/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A ALDH1A1 1402/4885KDM4E 4111/4885TAAR1 2347/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885KDM4E 4096/4885TAAR1 609/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A ALDH1A1 1402/4885KDM4E 4111/4885TAAR1 2347/4885
US-10273238-B2 Indazolones as modulators of TNF signaling TNF, TNFRSF9, TNFRSF1A ALDH1A1 930/4885KDM4E 4258/4885TAAR1 2136/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885KDM4E 4096/4885TAAR1 609/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ALDH1A1 1896/4885KDM4E 4096/4885TAAR1 609/4885

“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.