SCHEMBL667489

SCHEMBL667489

COc1cccc(CN2CCC(=O)C2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
CMA1 P23946 1/20 0.57
TACR1 P25103 2/20 0.57
MEN1 O00255 2/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM3 P20309 1/20 0.54
DRD4 P21917 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
CLPP Q16740 1/20 0.53

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
SCHEMBL8112987 0.91 SIGMAR1 (0.70) SIGMAR1KMT2AKDM4EALDH1A1CMA1
SCHEMBL667100 0.91 SIGMAR1 (0.70) SIGMAR1KMT2AKDM4EALDH1A1CMA1
SCHEMBL9830068 0.85 KMT2A (0.49) SIGMAR1KMT2AKDM4ETACR1MEN1
SCHEMBL9829472 0.82 ABCB1 (0.57) SIGMAR1KDM4ECMA1TACR1DRD4
SCHEMBL20804357 0.81 SIGMAR1 (0.90) SIGMAR1KMT2AKDM4EALDH1A1MEN1
SCHEMBL28186295 0.81 SIGMAR1 (0.90) SIGMAR1KMT2AKDM4EALDH1A1MEN1
SCHEMBL9829721 0.81 MEN1 (0.54) KMT2AKDM4EALDH1A1MEN1CLPP
SCHEMBL29234312 0.80 SIGMAR1 (0.58) SIGMAR1KMT2AKDM4EALDH1A1CMA1
SCHEMBL30945865 0.80 SIGMAR1 (0.58) SIGMAR1KMT2AKDM4EALDH1A1CMA1
SCHEMBL30774908 0.79 SIGMAR1 (0.79) SIGMAR1KMT2AKDM4EALDH1A1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
EP-2606049-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN Albany Molecular Research, Inc. (US) 2013-06-26 EP disclosed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 US disclosed
WO-2012024397-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-23 WO disclosed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 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 (1 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-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin HTR2B, HTR1B, HTR5A SIGMAR1 97/4885KMT2A 2571/4885KDM4E 1605/4885

“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.