SCHEMBL4403480

SCHEMBL4403480

Cc1ccc(N2CCC(Oc3ccc4cc(C(=O)NC5CCNCC5)oc4c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.40
AR P10275 1/20 0.40
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
CHRNA7 P36544 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
HPGDS O60760 1/20 0.38
KHK P50053 1/20 0.38

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
SCHEMBL4405686 0.94 MAOB (0.43) HRH3RAB9ANPC1KMT2AKDM1A
SCHEMBL4441153 0.92 RAB9A (0.41) HRH3RAB9ANPC1KMT2AKDM1A
SCHEMBL4408247 0.89 MAOB (0.42) HRH3RAB9ANPC1KDM1AAR
SCHEMBL647679 0.89 SLC6A4 (0.46) HRH3RAB9AKDM1AARCHRNA7
SCHEMBL647181 0.89 EPHX1 (0.45) RAB9AKDM1ACHRNA7HPGDS
Hydrochloric Acid SCHEMBL648678 0.88 SLC6A4 (0.45) HRH3RAB9AKDM1AARCHRNA7
Hydrochloric Acid SCHEMBL648553 0.88 EPHX1 (0.44) RAB9AKDM1ACHRNA7HPGDS
SCHEMBL12199810 0.85 FLT3 (0.41) HRH3ARMAOBMAOASMYD3
SCHEMBL4408236 0.85 GPR119 (0.52) HRH3KMT2AKDM4EALDH1A1HPGD
SCHEMBL4403497 0.84 PRKAA2 (0.44) HRH3KMT2ACHRNA7KDM4EALDH1A1

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
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-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 (4 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 HRH3 2514/4885RAB9A 4168/4885NPC1 4121/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 HRH3 3485/4885RAB9A 1773/4885NPC1 3134/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 HRH3 3485/4885RAB9A 1773/4885NPC1 3134/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS HRH3 2910/4885RAB9A 4320/4885NPC1 1669/4885

“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.