SCHEMBL4403510

SCHEMBL4403510

Cc1ccc(N2CCC(Oc3ccc4cc(C(=O)NC5CCN(Cc6ccccc6C#N)CC5)oc4c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
DRD4 P21917 2/20 0.44
ACHE P22303 2/20 0.42
UTS2R Q9UKP6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 4/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
KCNH2 Q12809 3/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
PRKAA2 P54646 1/20 0.39

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
SCHEMBL4447886 0.94 AR (0.44) ARDRD4ACHEUTS2RKDM4E
SCHEMBL648801 0.91 DRD4 (0.46) ARDRD4ACHEMCHR1KCNH2
SCHEMBL648723 0.91 CHRM4 (0.48) ARMCHR1PRKAA2
SCHEMBL4408243 0.88 MAOA (0.55) DRD4UTS2RMCHR1MAOBMAOA
SCHEMBL4402673 0.85 UTS2R (0.47) ARDRD4ACHEUTS2RKCNH2
SCHEMBL4402660 0.84 DRD4 (0.52) DRD4ALDH1A1
SCHEMBL4405698 0.84 DRD4 (0.47) DRD4ACHEUTS2RKDM4EALDH1A1
SCHEMBL4405704 0.84 MCHR1 (0.54) DRD4MCHR1KCNH2CCR3
SCHEMBL4408224 0.83 DRD4 (0.53) DRD4ACHEUTS2RKDM4EALDH1A1
SCHEMBL4403525 0.82 CCR3 (0.39) ARACHEMCHR1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
US-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 (5 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 AR 3066/4885DRD4 3588/4885ACHE 2082/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 AR 3066/4885DRD4 3588/4885ACHE 2082/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 AR 379/4885DRD4 4704/4885ACHE 1963/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 AR 379/4885DRD4 4704/4885ACHE 1963/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS AR 1278/4885DRD4 3528/4885ACHE 2000/4885

“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.