SCHEMBL4403487

SCHEMBL4403487

Cc1ccc(N2CCC(Oc3ccc4oc(C(=O)N(C)C5CCNCC5)cc4c3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TP53 P04637 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
MAOA P21397 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL649432 0.92 HRH3 (0.38) MAOBSLC6A4LMNAKDM4EALDH1A1
SCHEMBL13845633 0.87 MAOB (0.44) MAOBKMT2AMEN1MAOA
SCHEMBL4403515 0.85 GPR119 (0.52) KMT2AMEN1
SCHEMBL4401661 0.84 ALDH1A1 (0.45) MAOBKMT2AMEN1ALDH1A1
SCHEMBL4405686 0.84 MAOB (0.43) MAOBSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL4402665 0.84 MAOB (0.42) MAOBKMT2AMEN1F10MAOA
SCHEMBL4403491 0.83 MAOA (0.53) MAOBMAOA
SCHEMBL4403502 0.82 ADRB2 (0.46) MAOBMAOA
SCHEMBL4402675 0.82 MAOA (0.43) MAOBKMT2AMEN1F10MAOA
SCHEMBL4403522 0.81 CHRNB2 (0.43) MAOBKMT2AMEN1KDM4EALDH1A1

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 MAOB 441/4885SLC6A2 1144/4885SLC6A4 1035/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 MAOB 441/4885SLC6A2 1144/4885SLC6A4 1035/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 MAOB 3141/4885SLC6A2 4499/4885SLC6A4 3971/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 MAOB 3141/4885SLC6A2 4499/4885SLC6A4 3971/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS MAOB 821/4885SLC6A2 1901/4885SLC6A4 2444/4885

“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.