SCHEMBL2390955

SCHEMBL2390955

COc1ccc(CN2CCC(Oc3ccc(C(=O)O)cc3Cl)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.58
CCR3 P51677 2/20 0.58
KCNH2 Q12809 2/20 0.58
UTS2R Q9UKP6 3/20 0.54
SCN1A P35498 1/20 0.54
SCN8A Q9UQD0 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
DRD4 P21917 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
POLB P06746 1/20 0.51
MCHR1 Q99705 1/20 0.49

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
SCHEMBL2389659 0.91 SCN1A (0.56) HRH1CCR3KCNH2UTS2RSCN1A
SCHEMBL2388680 0.88 DRD4 (0.69) UTS2RMEN1KMT2ADRD4SIGMAR1
SCHEMBL14147057 0.81 GAA (0.58) CCR3UTS2RMEN1KMT2APOLB
SCHEMBL2392556 0.80 CYP2D6 (0.59) CCR3UTS2RMEN1KMT2A
SCHEMBL2392400 0.80 CCR3 (0.50) CCR3UTS2RSCN1ASCN8AMEN1
SCHEMBL18560721 0.80 UTS2R (0.49) UTS2RSCN1ASCN8AMEN1KMT2A
SCHEMBL4237246 0.79 EPHX2 (0.51) HRH1CCR3KCNH2UTS2RMEN1
SCHEMBL18543850 0.79 DRD4 (0.59) UTS2RMEN1KMT2ADRD4SIGMAR1
SCHEMBL18561731 0.78 CCR3 (0.49) CCR3UTS2RSCN1ASCN8AMEN1
SCHEMBL2389013 0.78 UTS2R (0.71) UTS2RMEN1KMT2ADRD4SIGMAR1

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-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
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

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 HRH1 2753/4885CCR3 3454/4885KCNH2 3304/4885
US-20140179738-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 HRH1 2753/4885CCR3 3454/4885KCNH2 3304/4885
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 HRH1 2753/4885CCR3 3454/4885KCNH2 3304/4885

“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.