SCHEMBL1018629

SCHEMBL1018629

CC(C)(C)OC(=O)N1CCn2ccnc2C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
POLB P06746 1/20 0.45
GPR119 Q8TDV5 4/20 0.44
MAPK1 P28482 1/20 0.44
SCD O00767 1/20 0.44
SCD5 Q86SK9 1/20 0.44
NR1H2 P55055 2/20 0.43
MAPT P10636 2/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CDK1 P06493 1/20 0.41
MYT1 Q01538 1/20 0.41
VNN1 O95497 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL12208896 0.81 P2RX7 (0.48) P2RX7SCDSCD5CDK1MYT1
SCHEMBL25937516 0.80 SIGMAR1 (0.47) P2RX7SCDSCD5ALDH1A1CDK1
SCHEMBL25937008 0.80 WNT3 (0.40) P2RX7GPR119SCDSCD5CDK1
SCHEMBL25938042 0.80 WNT3 (0.40) P2RX7GPR119SCDSCD5CDK1
SCHEMBL12332203 0.79 SCD (0.49) P2RX7SCDSCD5CDK1MYT1
SCHEMBL4400866 0.77 NR1H2 (0.43) POLBMAPK1NR1H2MAPTESR2
SCHEMBL31377191 0.77 P2RX7 (0.36) P2RX7SCDSCD5ALDH1A1CDK1
SCHEMBL21410419 0.77 SCD (0.53) P2RX7SCDSCD5CDK1MYT1
SCHEMBL19722677 0.75 SCD (0.49) P2RX7SCDSCD5CDK1MYT1
SCHEMBL31622168 0.75 SCD (0.49) P2RX7SCDSCD5CDK1MYT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
US-12624041-B2 Heterocyclic compound and use thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2026-05-12 US disclosed
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed
US-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-27 US disclosed
EP-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
US-20240317755-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-09-26 US disclosed
CN-118401502-A Benzothiazole, benzisoxazole and benzodioxole analogs as RXFP1 receptor agonists 百时美施贵宝公司 2024-07-26 CN disclosed
CN-118103369-A Pyridolactam derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-05-28 CN disclosed
CN-114907408-B Heterocyclic compound, intermediate thereof, preparation method and application thereof 武汉朗来科技发展有限公司 2024-05-03 CN disclosed
CN-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 CN disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 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
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 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 (6 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A P2RX7 32/4885POLB 2365/4885GPR119 923/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 P2RX7 257/4885POLB 3403/4885GPR119 226/4885
US-12624041-B2 Heterocyclic compound and use thereof TRPC1, TRPC5, TRPC3 P2RX7 1449/4885POLB 3847/4885GPR119 592/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK P2RX7 3549/4885POLB 1498/4885GPR119 1545/4885
US-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS RXFP1, RXFP2, RXFP3 P2RX7 309/4885POLB 4768/4885GPR119 85/4885
US-20240317755-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF CYP4A11, CYP4F11, CYP51A1 P2RX7 2855/4885POLB 3759/4885GPR119 1391/4885

“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.