SCHEMBL3786523

SCHEMBL3786523

Nc1ccc(C2CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
TSHR P16473 2/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALOX15 P16050 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 1/20 0.38

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
SCHEMBL29769051 1.00 CYP3A4 (0.50) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL3784050 0.92 CYP3A4 (0.46) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL3786596 0.92 CYP3A4 (0.46) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL3792360 0.90 ALDH1A1 (0.46) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL4966136 0.87 CHRNB2 (0.43) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL12073521 0.84 HTR1D (0.55) CYP3A4TSHRALDH1A1HTTPOLB
SCHEMBL3792282 0.83 CYP3A4 (0.50) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL19175523 0.80 ALDH1A1 (0.44) CYP3A4ALDH1A1HTTPOLBMAPT
SCHEMBL23567637 0.79 CHRNB2 (0.61) CYP3A4TSHRCA1CA2ALDH1A1
SCHEMBL6937141 0.79 CHRNB2 (0.61) CYP3A4TSHRCA1CA2ALDH1A1

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-4380921-B1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS US HEALTH (US) 2026-01-28 EP disclosed
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed
US-20240336604-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS US HEALTH (US) 2024-10-10 US disclosed
EP-4380921-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2024-06-12 EP disclosed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
EP-4048397-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THERAPEUTIC APPLICATIONS UNIV MICHIGAN REGENTS (US) 2023-08-16 EP disclosed
EP-4048397-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THERAPEUTIC APPLICATIONS UNIV MICHIGAN REGENTS (US) 2023-08-16 EP disclosed
WO-2023014768-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-09 WO disclosed
WO-2023014768-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-09 WO disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
EP-3068784-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 WO disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2009155481-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF GTX, INC. (US) 2009-12-23 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT CYP3A4 2645/4885TSHR 2338/4885CA1 3932/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885CA1 3273/4885
US-20240336604-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS OPRD1, DRD3, OPRK1 CYP3A4 1485/4885TSHR 114/4885CA1 4565/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 CYP3A4 1960/4885TSHR 4453/4885CA1 1757/4885

“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.