SCHEMBL4403519

SCHEMBL4403519

Cc1ccc(N2CCC(Oc3ccc4cc(C(=O)NC5CCN(S(=O)(=O)c6cccnc6)CC5)oc4c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TPSAB1 Q15661 1/20 0.42
CLK1 P49759 1/20 0.42
RAB9A P51151 1/20 0.41
PDE7B Q9NP56 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4458748 0.94 NAMPT (0.44) NAMPTCHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL4402680 0.91 CHRNB2 (0.44) NAMPTCHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL649505 0.91 NAMPT (0.42) NAMPTMEN1KMT2ATPSAB1RAB9A
SCHEMBL648783 0.91 SMN1; SMN2 (0.46) NAMPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL16927791 0.86 SMN1; SMN2 (0.45) NAMPTCHRNB2CHRNA7CHRNA4MEN1
SCHEMBL16927797 0.86 CHRNB2 (0.42) NAMPTCHRNB2CHRNA7CHRNA4MEN1
SCHEMBL4408224 0.85 DRD4 (0.53) CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL648628 0.82 CHRNB2 (0.41) NAMPTCHRNB2CHRNA7CHRNA4LMNA
SCHEMBL648627 0.82 CHRNB2 (0.41) NAMPTCHRNB2CHRNA7CHRNA4LMNA
SCHEMBL4403497 0.81 PRKAA2 (0.44) NAMPTCHRNB2CHRNA7CHRNA4ALDH1A1

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 NAMPT 291/4885CHRNB2 2610/4885CHRNA7 2917/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 NAMPT 291/4885CHRNB2 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 NAMPT 307/4885CHRNB2 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 NAMPT 307/4885CHRNB2 1938/4885CHRNA7 2053/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS NAMPT 270/4885CHRNB2 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.