SCHEMBL719173

SCHEMBL719173

OC1CCCC(OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
DPP4 P27487 1/20 0.43
AGTR2 P50052 2/20 0.43
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC18A3 Q16572 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4175726 1.00 CTSL (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL5711147 1.00 CTSL (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL24242210 1.00 CTSL (0.44) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL12640946 0.90 SLC18A3 (0.48) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1288244 0.90 SLC18A3 (0.48) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL19914171 0.90 SLC18A3 (0.48) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL20178569 0.90 SLC18A3 (0.48) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL19067383 0.90 OPRM1 (0.49) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL426503 0.84 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL989536 0.84 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708319-B2 Biphenyl amides with modified ether groups as HSP90 inhibitors and HSP70 inducers UNIVERSITY OF KANSAS (US) 2023-07-25 US disclosed
US-20200270201-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS REATA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
EP-1599433-B1 METHOD FOR PRODUCING THE ENANTIOMERIC FORMS OF CIS 1,3-CYCLOHEXANEDIOL DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2006-12-06 EP disclosed
US-7094795-B2 Process for preparing the enantiomeric forms of cis-configured 1,3-cyclohexanediol derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-08-22 US disclosed
EP-1599433-A1 METHOD FOR PRODUCING THE ENANTIOMERIC FORMS OF CIS 1,3-CYCLOHEXANEDIOL DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20040209931-A1 Process for preparing the enantiomeric forms of cis-configured 1,3-cyclohexanediol derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-21 US disclosed
WO-2004076390-A1 METHOD FOR PRODUCING THE ENANTIOMERIC FORMS OF CIS 1,3-CYCLOHEXANEDIOL DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed
US-5942614-A CHEMICAL INTERMEDIATE 7-CHLORO-5-(2-FLUOROPHENYL)-2,3-DIHYDRO-1H-1,4-BENZODIAZEPINE-2-METHANAMINE -4-OXIDE PHARMACIA & UPJOHN COMPANY (US) 1999-08-24 US disclosed
US-5922892-A Process to produce midazolam PHARMACIA & UPJOHN COMPANY (US) 1999-07-13 US disclosed
EP-0918773-A1 PROCESS FOR THE PRODUCTION OF 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO 1,5-A]BENZODIAZEPINE PHARMACIA & UPJOHN COMPANY (US) 1999-06-02 EP disclosed
US-5831089-A Process to produce midazolam PHARMACIA & UPJOHN COMPANY (US) 1998-11-03 US disclosed
WO-1998000427-A1 PROCESS FOR THE PRODUCTION OF 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO[1,5-A]BENZODIAZEPINE PHARMACIA & UPJOHN COMPANY (US) 1998-01-08 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 (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-11708319-B2 Biphenyl amides with modified ether groups as HSP90 inhibitors and HSP70 inducers HSP90AB2P, HSP90AB1, HSPB1 CTSL 4828/4885CTSB 4099/4885CTSK 4746/4885
US-20200270201-A1 BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS HSP90AB2P, HSP90AB1, HSPB1 CTSL 4828/4885CTSB 4099/4885CTSK 4746/4885
US-20040209931-A1 Process for preparing the enantiomeric forms of cis-configured 1,3-cyclohexanediol derivatives CYP1A1, CYP51A1, CYP1B1 CTSL 426/4885CTSB 757/4885CTSK 898/4885
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR CTSL 1664/4885CTSB 1268/4885CTSK 1604/4885

“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.