SCHEMBL2616433

SCHEMBL2616433

Cn1cc(C(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
AR P10275 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL18161138 0.84 GABRA2 (0.37) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL19000359 0.82 HRH4 (0.33) HRH4HRH3DPP4
SCHEMBL20203325 0.81
SCHEMBL12418758 0.81 AR (0.46) CA12CA9ARCYP1A2CYP2C19
SCHEMBL23109711 0.81
SCHEMBL3590888 0.81 SMPD1 (0.33) CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL26916336 0.79 SMPD1 (0.33) CYP1A2CYP2C19
SCHEMBL15255587 0.78 AR (0.36) GABRA2GABRB2KDM4EARCYP2C19
SCHEMBL24157507 0.78
SCHEMBL19034039 0.78 SMPD1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-11912659-B2 EBNA1 inhibitors and methods using same THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2024-02-27 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
EP-4021904-B1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-03 EP disclosed
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-11-16 US disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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 (11 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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT GABRA2 4234/4885GABRB2 3393/4885HRH4 1868/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 GABRA2 704/4885GABRB2 638/4885HRH4 256/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A GABRA2 4266/4885GABRB2 3866/4885HRH4 2299/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 GABRA2 993/4885GABRB2 1115/4885HRH4 962/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 GABRA2 4838/4885GABRB2 4765/4885HRH4 3274/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 GABRA2 3136/4885GABRB2 2066/4885HRH4 2178/4885
US-20230365541-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF EZH2, BMI1, EZH1 GABRA2 1881/4885GABRB2 1738/4885HRH4 2068/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 GABRA2 1080/4885GABRB2 1139/4885HRH4 308/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 GABRA2 147/4885GABRB2 123/4885HRH4 326/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 GABRA2 685/4885GABRB2 643/4885HRH4 284/4885
US-11912659-B2 EBNA1 inhibitors and methods using same MLLT1, EBNA1BP2, MALT1 GABRA2 4682/4885GABRB2 4811/4885HRH4 3413/4885

“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.