SCHEMBL3671525

SCHEMBL3671525

CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)C(C)c3ccc(Cl)cc3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
PANK3 Q9H999 3/20 0.47
RAB9A P51151 3/20 0.46
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
CCR1 P32246 2/20 0.41
SCD O00767 1/20 0.41
NPC1 O15118 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL3677220 0.90 ENPP2 (0.50) ENPP2PANK3RAB9ACYP3A4LMNA
SCHEMBL3669126 0.89 LMNA (0.57) ENPP2PANK3RAB9AALDH1A1HPGD
SCHEMBL3667605 0.87 PANK3 (0.47) ENPP2PANK3RAB9ACYP3A4ALDH1A1
SCHEMBL3675936 0.84 HPGD (0.47) ENPP2RAB9AALDH1A1HPGDLMNA
SCHEMBL3669246 0.84 PANK3 (0.46) ENPP2PANK3RAB9ACYP3A4ALDH1A1
SCHEMBL3666259 0.84 SCD (0.58) ENPP2PANK3RAB9ACYP3A4ALDH1A1
SCHEMBL3680059 0.84 FOLH1 (0.46) ENPP2PANK3RAB9ACYP3A4ALDH1A1
SCHEMBL3670462 0.83 PANK3 (0.47) ENPP2PANK3RAB9ACYP3A4LMNA
SCHEMBL3668909 0.83 SCD (0.46) PANK3RAB9AALDH1A1HPGDPPARG
SCHEMBL3666195 0.82 RAB9A (0.49) ENPP2RAB9AALDH1A1HPGDLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP claimed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US claimed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 US claimed
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP disclosed
EP-2266566-A2 Nicotinamide derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2010-12-29 EP disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 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 (3 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-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents NAMPT, NNT, NNMT ENPP2 910/4885PANK3 1531/4885RAB9A 1717/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 ENPP2 175/4885PANK3 4000/4885RAB9A 1976/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT ENPP2 910/4885PANK3 1531/4885RAB9A 1717/4885

“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.