SCHEMBL744790

SCHEMBL744790

COCc1ccc(Br)nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
GRM2 Q14416 1/20 0.36
PARP1 P09874 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL29545943 1.00 CYP11B1 (0.42) CYP11B1GRM2PARP1MMP2MMP9
SCHEMBL1171911 0.83 CYP11B1 (0.37) CYP11B1GRM2PARP1MMP2MMP9
SCHEMBL12881275 0.82 ICAM1 (0.37) CYP11B1GRM2MMP2MMP9MMP8
SCHEMBL1172004 0.82 ICAM1 (0.37) CYP11B1GRM2MMP2MMP9MMP8
SCHEMBL2455016 0.80 CYP11B1 (0.40) CYP11B1GRM2PARP1CHRNB2CHRNA4
SCHEMBL30228073 0.79 KDM1A (0.43) CYP11B1MAOA
SCHEMBL1257274 0.79 KDM1A (0.43) CYP11B1MAOA
SCHEMBL15291845 0.79 NPC1 (0.33) CYP11B1MAOADYRK1ANPC1POLB
SCHEMBL487301 0.77 TSHR (0.41) MAOADYRK1APOLB
SCHEMBL23910168 0.76 TSHR (0.37) CYP11B1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257049-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2025-08-14 US disclosed
EP-3589628-B1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2025-05-07 EP disclosed
US-12234218-B2 Heterocyclic compounds as modulators of mGluR7 PRAGMA THERAPEUTICS (FR) 2025-02-25 US disclosed
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US disclosed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2024-01-04 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-7576089-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION 2009-08-18 US disclosed
EP-1696919-A4 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-07-01 EP disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP disclosed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 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 (10 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CYP11B1 1683/4885GRM2 404/4885PARP1 573/4885
US-20250257049-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM2 CYP11B1 1884/4885GRM2 3/4885PARP1 4766/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 CYP11B1 1745/4885GRM2 687/4885PARP1 995/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP11B1 130/4885GRM2 4721/4885PARP1 3762/4885
US-12234218-B2 Heterocyclic compounds as modulators of mGluR7 GRM7, GRM1, GRM2 CYP11B1 1884/4885GRM2 3/4885PARP1 4766/4885
US-20240043435-A1 TYK-2 INHIBITOR TYK2, IRAK2, PTK2B CYP11B1 3555/4885GRM2 1736/4885PARP1 1946/4885
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION PTPN3, PHOSPHO1, SKIC3 CYP11B1 4620/4885GRM2 2069/4885PARP1 2427/4885
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CYP11B1 130/4885GRM2 4721/4885PARP1 3762/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM CYP11B1 1596/4885GRM2 2004/4885PARP1 3447/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CYP11B1 336/4885GRM2 4476/4885PARP1 2445/4885

“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.