SCHEMBL684582

SCHEMBL684582

CN1CCC(C)(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.62
OPRM1 P35372 6/20 0.57
DRD4 P21917 1/20 0.57
KCNH2 Q12809 2/20 0.50
SLC22A1 O15245 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
TSHR P16473 1/20 0.43
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PAX8 Q06710 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2D O15399 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
Methyl Alcohol SCHEMBL11452306 0.96 OPRD1 (0.64) OPRD1OPRM1DRD4KCNH2SLC22A1
SCHEMBL24119449 0.88 OPRM1 (0.63) OPRD1OPRM1DRD4KCNH2SLC22A1
SCHEMBL8931777 0.88 OPRM1 (0.63) OPRD1OPRM1DRD4KCNH2SLC22A1
SCHEMBL27099783 0.88 OPRM1 (0.63) OPRD1OPRM1DRD4KCNH2SLC22A1
SCHEMBL498014 0.81 OPRM1 (0.50) OPRM1DRD4OPRK1ALDH1A1LMNA
SCHEMBL17888280 0.81 OPRM1 (0.56) OPRD1OPRM1
SCHEMBL21078145 0.81 OPRD1 (0.43) OPRD1OPRM1DRD4KCNH2SLC6A4
SCHEMBL11738164 0.80 OPRM1 (0.77) OPRD1OPRM1DRD4KCNH2SLC22A1
SCHEMBL13452620 0.79 OPRM1 (0.57) OPRD1OPRM1DRD4DRD2ALDH1A1
SCHEMBL13363165 0.79 OPRD1 (0.50) OPRD1OPRM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11914294-B2 Positive resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-02-27 US disclosed
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
EP-3760620-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-06 EP disclosed
WO-2019161781-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF 北京泰德制药股份有限公司 2019-08-29 WO disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP disclosed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US disclosed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 US disclosed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP disclosed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 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 (6 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 OPRD1 4201/4885OPRM1 4517/4885DRD4 4618/4885
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB OPRD1 40/4885OPRM1 7/4885DRD4 1393/4885
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A OPRD1 912/4885OPRM1 1849/4885DRD4 3367/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C OPRD1 207/4885OPRM1 251/4885DRD4 439/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRD1 1381/4885OPRM1 1787/4885DRD4 4544/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 OPRD1 4881/4885OPRM1 4885/4885DRD4 4752/4885

“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.