SCHEMBL4408250

SCHEMBL4408250

Cc1ccc(N2CCC(Oc3ccc4oc(C(=O)N[C@@H]5CCN(Cc6ccccn6)C5)cc4c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.49
RAB9A P51151 3/20 0.46
DRD4 P21917 1/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
SLC5A7 Q9GZV3 1/20 0.44

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
SCHEMBL648178 0.91 RAB9A (0.46) UTS2RRAB9ADRD4NPC1ALDH1A1
SCHEMBL648179 0.91 RAB9A (0.46) UTS2RRAB9ADRD4NPC1ALDH1A1
SCHEMBL4402660 0.91 DRD4 (0.52) RAB9ADRD4NPC1ALDH1A1LMNA
SCHEMBL4405721 0.88 UTS2R (0.49) UTS2RDRD4ALDH1A1
SCHEMBL4403509 0.87 CHRNB2 (0.48) UTS2RDRD4ALDH1A1
SCHEMBL4401700 0.84 LMNA (0.48) RAB9ANPC1ALDH1A1LMNAPKM
SCHEMBL4453176 0.84 DRD4 (0.53) RAB9ADRD4NPC1ALDH1A1LMNA
SCHEMBL4401689 0.83 DRD4 (0.50) DRD4ALDH1A1
SCHEMBL649696 0.82 DRD4 (0.50) RAB9ADRD4NPC1ALDH1A1LMNA
SCHEMBL648340 0.82 DRD4 (0.50) RAB9ADRD4NPC1ALDH1A1LMNA

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 UTS2R 1156/4885RAB9A 4168/4885DRD4 3588/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 UTS2R 1156/4885RAB9A 4168/4885DRD4 3588/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 UTS2R 1535/4885RAB9A 1773/4885DRD4 4704/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 UTS2R 1535/4885RAB9A 1773/4885DRD4 4704/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS UTS2R 1064/4885RAB9A 4320/4885DRD4 3528/4885

“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.