SCHEMBL733085

SCHEMBL733085

CCCC[Al](CC(C)C)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
THRB P10828 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
SCHEMBL733084 0.97 TSHR (0.32) TSHRLMNA
SCHEMBL7027626 0.97 TSHR (0.32) TSHRLMNA
SCHEMBL25231381 0.97 TSHR (0.32) TSHRLMNA
Lithium Ion SCHEMBL7027624 0.95 OPRM1 (0.33) TSHROPRM1
SCHEMBL9408974 0.94 TSHR (0.33) TSHRLMNAOPRM1TRPM8THRB
SCHEMBL7932503 0.92 TSHR (0.35) TSHRLMNAOPRM1TRPM8THRB
SCHEMBL3835334 0.92 TSHR (0.32) TSHRLMNA
SCHEMBL80551 0.90 TSHR (0.40) TSHRLMNAOPRM1TRPM8THRB
SCHEMBL3673386 0.90 TSHR (0.40) TSHRLMNAOPRM1TRPM8THRB
SCHEMBL3671630 0.84 TSHR (0.40) TSHRLMNAOPRM1TRPM8THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
US-20230416252-A1 PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE JANSSEN PHARMACEUTICA NV (BE) 2023-12-28 US disclosed
CN-117120418-A Process for the preparation of compound (I) 百时美施贵宝公司 2023-11-24 CN disclosed
EP-3953334-B1 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL MYERS SQUIBB CO (US) 2023-11-22 EP disclosed
EP-4234555-A2 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE Bristol-Myers Squibb Company (US) 2023-08-30 EP disclosed
EP-4225757-A1 A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE Bristol-Myers Squibb Company (US) 2023-08-16 EP disclosed
US-20220144836-A1 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL-MYERS SQUIBB COMPANY 2022-05-12 US disclosed
WO-2022081473-A1 A PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}-1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B] [1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-21 WO disclosed
CN-114375290-A Novel synthetic options for the preparation of (6R,10S) -10- {4- [ 5-chloro-2- (4-chloro-1H-1, 2, 3-triazol-1-yl) phenyl ] -6-oxo-1 (6H) -pyrimidinyl } -1- (dioxomethyl) -6-methyl-1, 4,7,8,9, 10-hexahydro-11, 15- (methylenebridging) pyrazolo [4,3-B ] [1,7] diazacyclotetradecyn-5 (6H) -one 百时美施贵宝公司 2022-04-19 CN disclosed
WO-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 WO disclosed
WO-2005044201-A2 PH SENSITIVE PRODRUGS OF 2,6-DIISOPROPYLPHENOL AUSPEX PHARMACEUTICALS, INC. (US) 2005-05-19 WO disclosed
WO-2005011573-A2 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2005000233-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-01-06 WO disclosed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
CN-1174205-A Carrier catalyst system, its prep, and use in polymerization of olefines thereof HOECHST AG (DE) 1998-02-25 CN disclosed
WO-1996011186-A1 PREPARATION OF CISAPRIDE TORCAN CHEMICAL LTD. (CA) 1996-04-18 WO disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed
US-4025497-A VULCANIZED SYNTHETIC RUBBERS WITH GOOD MECHANICAL PROPERTIES MONTECATINI EDISON S.P.A. (IT) 1977-05-24 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 (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-20230416252-A1 PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE CYP1B1, AZI2, TET1 TSHR 2354/4885LMNA 4356/4885OPRM1 1037/4885
US-20220144836-A1 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE CYP2D6, CYP1B1, CYP2B6 TSHR 2236/4885LMNA 4669/4885OPRM1 621/4885

“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.