SCHEMBL4408224

SCHEMBL4408224

Cc1ccc(N2CCC(Oc3ccc4cc(C(=O)NC5CCN(Cc6cccnc6)CC5)oc4c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.53
CHRNB2 P17787 3/20 0.50
CHRNA7 P36544 3/20 0.50
CHRNA4 P43681 3/20 0.50
CXCR4 P61073 1/20 0.47
SLC6A5 Q9Y345 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 2/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SMO Q99835 1/20 0.42
PRKAA2 P54646 1/20 0.42
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL4401689 0.95 DRD4 (0.50) DRD4CHRNB2CHRNA7CHRNA4CXCR4
SCHEMBL4458563 0.93 DRD4 (0.53) DRD4CHRNB2CHRNA7CHRNA4CXCR4
SCHEMBL4405698 0.91 DRD4 (0.47) DRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL648533 0.91 CHRM4 (0.51) DRD4CXCR4SLC6A5PRKAA2
SCHEMBL648168 0.91 SLC6A5 (0.58) DRD4CXCR4SLC6A5KDM4EALDH1A1
SCHEMBL4403509 0.91 CHRNB2 (0.48) DRD4CHRNB2CHRNA7CHRNA4CXCR4
SCHEMBL4402660 0.87 DRD4 (0.52) DRD4ALDH1A1
SCHEMBL4405704 0.86 MCHR1 (0.54) DRD4
SCHEMBL646987 0.86 SLC6A5 (0.57) DRD4CHRNB2CHRNA7CHRNA4CXCR4
SCHEMBL4403519 0.85 NAMPT (0.46) CHRNB2CHRNA7CHRNA4ALDH1A1

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 DRD4 3588/4885CHRNB2 2610/4885CHRNA7 2917/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 DRD4 3588/4885CHRNB2 2610/4885CHRNA7 2917/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 DRD4 4704/4885CHRNB2 1938/4885CHRNA7 2053/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 DRD4 4704/4885CHRNB2 1938/4885CHRNA7 2053/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS DRD4 3528/4885CHRNB2 2475/4885CHRNA7 2360/4885

“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.