SCHEMBL2390775

SCHEMBL2390775

COc1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
RAB9A P51151 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP2D6 P10635 1/20 0.68
SIGMAR1 Q99720 2/20 0.63
NPC1 O15118 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
HRH3 Q9Y5N1 2/20 0.60
ACHE P22303 2/20 0.58
PTGIR P43119 1/20 0.56
HTR2A P28223 1/20 0.55
MCHR1 Q99705 1/20 0.55
BACE1 P56817 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
CHKA P35790 1/20 0.52

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
SCHEMBL13650590 0.90 ALDH1A1 (0.57) MEN1KMT2ARAB9AALDH1A1CYP2D6
SCHEMBL22488317 0.90 ALDH1A1 (0.57) MEN1KMT2ARAB9AALDH1A1CYP2D6
SCHEMBL22488321 0.90 ALDH1A1 (0.57) MEN1KMT2ARAB9AALDH1A1CYP2D6
SCHEMBL26100694 0.88 MCHR1 (0.59) MEN1KMT2ARAB9AALDH1A1CYP2D6
SCHEMBL8320248 0.85 HRH3 (0.69) MEN1KMT2ASIGMAR1SMN1; SMN2HRH3
SCHEMBL621695 0.84 HRH3 (0.62) MEN1KMT2ASIGMAR1SMN1; SMN2HRH3
SCHEMBL19285228 0.84 SIGMAR1 (0.85) ALDH1A1SIGMAR1SMN1; SMN2PTGIRCHKA
SCHEMBL20804352 0.84 SIGMAR1 (0.85) ALDH1A1SIGMAR1SMN1; SMN2PTGIRCHKA
SCHEMBL1043952 0.84 SIGMAR1 (0.85) ALDH1A1SIGMAR1SMN1; SMN2PTGIRCHKA
SCHEMBL1586714 0.83 SIGMAR1 (0.63) MEN1KMT2ASIGMAR1SMN1; SMN2ACHE

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
EP-2079694-B1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-9181220-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140179738-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-8697727-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2014-04-15 US disclosed
US-20110306767-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-8012955-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
CN-102153544-A Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2011-08-17 CN disclosed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
EP-2079694-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
EP-0871613-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-10-21 EP disclosed
US-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US disclosed
WO-1996035666-A1 BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 1996-11-14 WO disclosed
US-4639522-A HYPOTENSIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1987-01-27 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 (3 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-20110306767-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 MEN1 3006/4885KMT2A 740/4885RAB9A 2654/4885
US-20140179738-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 MEN1 3006/4885KMT2A 740/4885RAB9A 2654/4885
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 MEN1 3006/4885KMT2A 740/4885RAB9A 2654/4885

“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.