SCHEMBL5048733

SCHEMBL5048733

[c]1cncc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL3724715 0.67 NOTUM (0.31)
SCHEMBL12520764 0.64 SIGMAR1 (0.32) SIGMAR1NOS3NOS1NOS2
SCHEMBL5021296 0.63 SIGMAR1 (0.50) SIGMAR1NOS3NOS1NOS2
SCHEMBL157184 0.62 SIGMAR1 (0.31) SIGMAR1
SCHEMBL4077470 0.62 SIGMAR1 (0.95) SIGMAR1NOS3NOS1NOS2
SCHEMBL19840372 0.62 SIGMAR1 (0.95) SIGMAR1NOS3NOS1NOS2
SCHEMBL20682524 0.62 SIGMAR1 (0.95) SIGMAR1NOS3NOS1NOS2
SCHEMBL7834708 0.61
SCHEMBL8890 0.60 TSHR (0.48) SIGMAR1
SCHEMBL2871422 0.60 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN claimed
WO-2024046370-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITORS, AND PREPARATION AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-03-07 WO claimed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US claimed
US-5674880-A ANTIINFLAMMATORY AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-07 US claimed
US-20240208970-A1 SUBSTITUTED HYDANTOIN COMPOUNDS, METHODS FOR PREPARATION THEREOF AND USE THEREOF IN THE TREATMENT AND/OR PREVENTION OF A CORONA VIRUS DISEASE CARLSSON JENS (SE) 2024-06-27 US disclosed
WO-2024125600-A1 HETEROCYCLIC COMPOUNDS ACTING AS KRAS INHIBITORS, PREPARATION THEREFOR AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-06-20 WO disclosed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN disclosed
CN-117751105-A Substituted hydantoin compounds, process for their preparation and their use in the treatment and/or prophylaxis of coronavirus diseases J·卡尔松 2024-03-22 CN disclosed
WO-2024046370-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITORS, AND PREPARATION AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-03-07 WO disclosed
EP-4329883-A1 SUBSTITUTED HYDANTOIN COMPOUNDS, METHODS FOR PREPARATION THEREOF AND USE THEREOF IN THE TREATMENT AND/OR PREVENTION OF A CORONA VIRUS DISEASE Carlsson, Jens (SE) 2024-03-06 EP disclosed
EP-4028401-B1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2023-11-22 EP disclosed
CN-117003739-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 安徽中医药大学 2023-11-07 CN disclosed
EP-2502909-A1 AMINOPYRIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-09-26 EP disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
US-6080790-A SELECTIVE AND POTENT INHIBITORS OF PHOSPHODIESTERASE IV AND ARE USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY DISEASES AND THE ALLEVIATION OF CONDITIONS ASSOCIATED WITH CENTRAL NERVOUS MALFUNCTION CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-27 US disclosed
EP-0618889-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1998-12-30 EP disclosed
US-5674880-A ANTIINFLAMMATORY AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-07 US disclosed
US-5491147-A PHOSPHODIESTERASE IV INHIBITORS CELLTECH, LIMITED (GB) 1996-02-13 US disclosed
EP-0618889-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-10-12 EP disclosed
WO-1994010118-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-05-11 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 (2 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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B SIGMAR1 1994/4885NOS3 4657/4885NOS1 4712/4885
US-20240208970-A1 SUBSTITUTED HYDANTOIN COMPOUNDS, METHODS FOR PREPARATION THEREOF AND USE THEREOF IN THE TREATMENT AND/OR PREVENTION OF A CORONA VIRUS DISEASE FURIN, ACE, PEPD SIGMAR1 2904/4885NOS3 1315/4885NOS1 1164/4885

“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.