SCHEMBL4954046

SCHEMBL4954046

COC(=O)/C=C1/CCCN1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HCAR2 Q8TDS4 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
OR51E2 Q9H255 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4954055 1.00 TSHR (0.44) TSHRHCAR2KEAP1NFE2L2OR51E2
SCHEMBL9612293 1.00 TSHR (0.44) TSHRHCAR2KEAP1NFE2L2OR51E2
SCHEMBL18820281 0.94 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2
SCHEMBL8190669 0.94 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2
SCHEMBL8190673 0.94 TSHR (0.42) TSHRHCAR2KEAP1NFE2L2
SCHEMBL9535027 0.93 TSHR (0.41) TSHRHCAR2KEAP1NFE2L2
SCHEMBL9535032 0.93 TSHR (0.41) TSHRHCAR2KEAP1NFE2L2
SCHEMBL11722397 0.80 MAPK1 (0.44) TSHRHCAR2KDM4E
SCHEMBL11725317 0.80 HCAR2 (0.36) TSHRHCAR2
SCHEMBL15598874 0.80 MAPK1 (0.44) TSHRHCAR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158412-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF FAXIAN THERAPEUTICS, LLC 2024-05-16 US disclosed
EP-4288442-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF Faxian Therapeutics, LLC (US) 2023-12-13 EP disclosed
WO-2022170198-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF FAXIAN THERAPEUTICS, LLC (US) 2022-08-11 WO disclosed
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 US disclosed
WO-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 WO disclosed
US-9249139-B2 Indolizinone based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-02-02 US disclosed
US-7361663-B2 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. (US) 2008-04-22 US disclosed
WO-2001034567-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-17 WO disclosed
US-6147087-A SELECTIVE POTASSIUM CHANNEL MODULATORS, IN PARTICULAR FOR THE TREATMENT OF THE CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed
US-5990121-A SUCH AS METHYL 6-(3-NITROPHENYL)-7-OXO-1,2,3,4,6,7,8,9,10-NONAHYDROPYRIDO(1,2-A)QUINOLINE-5-CARBOXYLATE; USEFUL AS POTASSIUM CHANNEL MODULATORS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS DEMENTIA BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4024261-A HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4004015-A Bicyclic derivatives of 1,4-dihydropyridine as antihypertensive agents and coronary vessel dilators BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 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 (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-20240158412-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF USP7, USP28, USP1 TSHR 4303/4885HCAR2 4555/4885KEAP1 432/4885
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 TSHR 4229/4885HCAR2 1832/4885KEAP1 209/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB TSHR 4414/4885HCAR2 1932/4885KEAP1 303/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 TSHR 4229/4885HCAR2 1832/4885KEAP1 209/4885

“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.