SCHEMBL5049596

SCHEMBL5049596

COC(=O)CC(N)c1cncc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CASP3 P42574 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL14699396 0.85 CYP1A2 (0.37) KCNA5KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL14699398 0.85 CYP1A2 (0.37) KCNA5KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL21484195 0.84 KCNA5 (0.46) KCNA5KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL24036698 0.83 KCNA5 (0.37) KCNA5KDM4ECYP1A2HTTRAB9A
SCHEMBL25623852 0.83 KCNA5 (0.37) KCNA5KDM4ECYP1A2HTTRAB9A
SCHEMBL6381109 0.81 CASP3 (0.48) KDM4ECASP3HTTRAB9APOLB
SCHEMBL15956030 0.81 CASP3 (0.48) KDM4ECASP3HTTRAB9APOLB
SCHEMBL18833917 0.81 KCNA5 (0.42) KCNA5KDM4ECYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL7976149 0.80 CASP3 (0.47) KDM4ECASP3HTTRAB9APOLB
SCHEMBL21480487 0.79 CTSA (0.40) KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 US disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 US disclosed
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2022-10-27 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
EP-3773573-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) Morphic Therapeutic, Inc. (US) 2021-02-17 EP disclosed
CN-112312910-A Human integrin alpha 4 beta 7 antagonists 莫菲克医疗股份有限公司 2021-02-02 CN disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
CN-103906743-A Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi PIRAMAL IMAGING SA 2014-07-02 CN disclosed
EP-2744802-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI Piramal Imaging SA (CH) 2014-06-25 EP disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 WO disclosed
WO-2013023795-A1 COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA AND THEIR USE FOR IMAGING OF THROMBI PIRAMAL IMAGING SA (CH) 2013-02-21 WO disclosed
EP-1988078-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2012-10-17 EP disclosed
EP-1988078-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2008-11-05 EP disclosed
EP-1184374-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 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 (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-12221416-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 KCNA5 1297/4885KDM4E 2147/4885CYP1A2 4498/4885
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KCNA5 1144/4885KDM4E 2056/4885CYP1A2 4261/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KCNA5 1144/4885KDM4E 2056/4885CYP1A2 4261/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 KCNA5 1042/4885KDM4E 2404/4885CYP1A2 4579/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 KCNA5 1144/4885KDM4E 2056/4885CYP1A2 4261/4885

“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.