SCHEMBL4403522

SCHEMBL4403522

Cc1ccc(N2CCC(Oc3ccc4oc(C(=O)N(C)C5CCN(Cc6cccnc6)CC5)cc4c3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
OXTR P30559 1/20 0.40
KMT2A Q03164 4/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ROCK1 Q13464 2/20 0.39
MEN1 O00255 2/20 0.38
ROCK2 O75116 1/20 0.38
CCR2 P41597 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
GFER P55789 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
SCHEMBL647391 0.93 SLC6A5 (0.44) CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E
SCHEMBL4402665 0.91 MAOB (0.42) MAOAMAOBOXTRKMT2AROCK1
SCHEMBL13845633 0.90 MAOB (0.44) MAOAMAOBKMT2AHRH3MEN1
SCHEMBL4401689 0.87 DRD4 (0.50) CHRNB2CHRNA7CHRNA4MAOBALDH1A1
SCHEMBL4401700 0.87 LMNA (0.48) ALDH1A1KMT2AMEN1
SCHEMBL4402675 0.86 MAOA (0.43) MAOAMAOBKMT2AHRH3MEN1
SCHEMBL4403502 0.85 ADRB2 (0.46) MAOAMAOB
SCHEMBL4403491 0.85 MAOA (0.53) MAOAMAOBHRH3
SCHEMBL649378 0.85 ADRB2 (0.43) MAOAMAOBKITFLT3
SCHEMBL4403509 0.84 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E

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 CHRNB2 2610/4885CHRNA7 2917/4885CHRNA4 2442/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 CHRNB2 2610/4885CHRNA7 2917/4885CHRNA4 2442/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 CHRNB2 1938/4885CHRNA7 2053/4885CHRNA4 2123/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 CHRNB2 1938/4885CHRNA7 2053/4885CHRNA4 2123/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS CHRNB2 2475/4885CHRNA7 2360/4885CHRNA4 2383/4885

“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.