SCHEMBL10095038

SCHEMBL10095038

CC(C)(C)OC(=O)N1CCc2[nH]nc(I)c2C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
ADORA1 P30542 2/20 0.42
NR1H2 P55055 2/20 0.41
MAPK1 P28482 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CREBBP Q92793 5/20 0.39
EP300 Q09472 4/20 0.39
BRD4 O60885 2/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL19768750 0.91 USP2 (0.41) ESR2ADORA1NR1H2DDB1CRBN
SCHEMBL17317597 0.90 ADORA1 (0.44) ESR2ADORA1NR1H2MAPK1DDB1
SCHEMBL10296218 0.88 ESR2 (0.43) ESR2ADORA1NR1H2MAPK1CREBBP
SCHEMBL5720844 0.88 NR1H2 (0.40) ESR2ADORA1NR1H2MAPK1DDB1
SCHEMBL17868704 0.86 ESR2 (0.41) ESR2ADORA1NR1H2MAPK1DDB1
SCHEMBL17868654 0.85 ESR2 (0.46) ESR2ADORA1NR1H2MAPK1CREBBP
SCHEMBL14971269 0.85 ESR2 (0.43) ESR2ADORA1NR1H2MAPK1CREBBP
SCHEMBL1009435 0.85 DPP4 (0.46) ESR2ADORA1NR1H2MAPK1CREBBP
SCHEMBL17785628 0.84 ESR2 (0.42) ESR2ADORA1NR1H2MAPK1DDB1
SCHEMBL1888941 0.84 ADORA1 (0.47) ESR2ADORA1NR1H2MAPK1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435078-B2 Pyridazinones and methods of use thereof GFB (ABC), LLC (US) 2025-10-07 US disclosed
WO-2025108411-A1 EP300/CBP REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 北京沐华生物科技有限责任公司 2025-05-30 WO disclosed
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
CN-113939295-B Pyridazinones and methods of use thereof 金翅雀生物公司 2025-05-16 CN disclosed
CN-116507333-B Cyclic AMP response element binding protein (CBP) and/or 300KDA adenovirus E1A binding protein (P300) degrading compounds and methods of use 上海睿跃生物科技有限公司 2025-05-09 CN disclosed
US-20250136578-A1 BIFUNCTIONAL ANDROGEN RECEPTOR COMPOUNDS KOLM THERAPEUTICS INC. 2025-05-01 US disclosed
US-20250129070-A1 BIFUNCTIONAL ANDROGEN RECEPTOR COMPOUNDS KOLM THERAPEUTICS INC. 2025-04-24 US disclosed
WO-2025081082-A1 BIFUNCTIONAL ANDROGEN RECEPTOR COMPOUNDS KOLM THERAPEUTICS INC. (US) 2025-04-17 WO disclosed
WO-2025081092-A1 BIFUNCTIONAL ANDROGEN RECEPTOR COMPOUNDS KOLM THERAPEUTICS INC. (US) 2025-04-17 WO disclosed
CN-119330963-A Cyclic AMP response element binding protein (CBP) and/or 300KDA adenovirus E1A binding protein (P300) degrading compounds and methods of use 上海睿跃生物科技有限公司 2025-01-21 CN disclosed
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 WO disclosed
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 EP disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 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 (7 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-20250136578-A1 BIFUNCTIONAL ANDROGEN RECEPTOR COMPOUNDS AR, SHBG, FSHR ESR2 8/4885ADORA1 579/4885NR1H2 136/4885
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK ESR2 2680/4885ADORA1 3533/4885NR1H2 1112/4885
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC ESR2 459/4885ADORA1 569/4885NR1H2 20/4885
US-12435078-B2 Pyridazinones and methods of use thereof PDXK, ATP6V1B1, REN ESR2 2737/4885ADORA1 387/4885NR1H2 1189/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK ESR2 2680/4885ADORA1 3533/4885NR1H2 1112/4885
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC ESR2 459/4885ADORA1 569/4885NR1H2 20/4885
US-20250129070-A1 BIFUNCTIONAL ANDROGEN RECEPTOR COMPOUNDS AR, SHBG, FSHR ESR2 8/4885ADORA1 579/4885NR1H2 136/4885

“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.