SCHEMBL601417

SCHEMBL601417

CC(C)(C)OC(=O)N1CCn2c(Br)cnc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
NR1H2 P55055 2/20 0.47
MAPT P10636 4/20 0.43
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK2 Q15119 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP8B1 Q9UNU6 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
SCHEMBL17790245 0.85 P2RX7 (0.48) P2RX7NR1H2MAPTESR2POLB
SCHEMBL10183072 0.84 NR1H2 (0.47) NR1H2MAPTESR2POLBCKS1B
SCHEMBL10007648 0.84 P2RX7 (0.51) P2RX7NR1H2MAPTESR2POLB
SCHEMBL31568967 0.84 P2RX7 (0.47) P2RX7NR1H2MAPTESR2POLB
SCHEMBL13575643 0.84 NR1H2 (0.47) NR1H2MAPTESR2POLBCKS1B
SCHEMBL19005602 0.83 NR1H2 (0.46) NR1H2MAPTESR2POLBCKS1B
SCHEMBL31569288 0.83 NR1H2 (0.46) P2RX7NR1H2MAPTESR2POLB
SCHEMBL28887447 0.83 NR1H2 (0.49) NR1H2MAPTESR2POLBCKS1B
SCHEMBL17788667 0.82 NR1H2 (0.45) NR1H2MAPTESR2POLBCKS1B
SCHEMBL10235383 0.82 NR1H2 (0.45) NR1H2MAPTESR2POLBCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624041-B2 Heterocyclic compound and use thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2026-05-12 US disclosed
EP-4703361-A1 PYRIDAZINONE TRPC4/5 INHIBITOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2026-03-04 EP disclosed
EP-4634169-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF Pfizer Inc. (US) 2025-10-22 EP disclosed
US-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-27 US disclosed
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS DRAIG THERAPEUTICS LTD (GB) 2024-12-26 US disclosed
WO-2024222379-A1 PYRIDAZINONE TRPC4/5 INHIBITOR AND USE THEREOF 中国科学院上海药物研究所 2024-10-31 WO disclosed
US-20240360149-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2024-10-31 US disclosed
CN-118834210-A Pyridazinone TRPC4/5 inhibitor and application thereof 中国科学院上海药物研究所 2024-10-25 CN 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
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 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
EP-1998620-A4 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-09-02 EP disclosed
EP-1998620-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2008-12-10 EP 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
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 P2RX7 257/4885NR1H2 279/4885MAPT 979/4885
US-12624041-B2 Heterocyclic compound and use thereof TRPC1, TRPC5, TRPC3 P2RX7 1449/4885NR1H2 382/4885MAPT 894/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK P2RX7 3549/4885NR1H2 1112/4885MAPT 1743/4885
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS GABRA5, GABRB3, GABRA3 P2RX7 428/4885NR1H2 191/4885MAPT 1383/4885
US-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS RXFP1, RXFP2, RXFP3 P2RX7 309/4885NR1H2 47/4885MAPT 4598/4885
US-20240317755-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF CYP4A11, CYP4F11, CYP51A1 P2RX7 2855/4885NR1H2 689/4885MAPT 474/4885
US-20240360149-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 P2RX7 4800/4885NR1H2 2106/4885MAPT 3226/4885

“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.