SCHEMBL3673075

SCHEMBL3673075

CN(C)CCCNC(=O)c1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
FOLH1 Q04609 1/20 0.43
SCD O00767 2/20 0.43
POLB P06746 4/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
HPGDS O60760 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL3670570 0.91 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3667683 0.90 SMYD3 (0.48) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3672182 0.89 ALDH1A1 (0.46) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3667802 0.89 ALDH1A1 (0.46) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3666504 0.89 POLB (0.47) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3678225 0.87 ALDH1A1 (0.49) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3670777 0.86 ALDH1A1 (0.49) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3667578 0.86 SCD (0.59) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3671139 0.85 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3669393 0.85 ALDH1A1 (0.58) ENPP2ALDH1A1NPC1RAB9ASMN1; SMN2

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
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
US-20150031094-A1 POLYNUCLEOTIDES ENCODING ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-01-29 US disclosed
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 910/4885ALDH1A1 1127/4885NPC1 94/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 ENPP2 175/4885ALDH1A1 3898/4885NPC1 31/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT ENPP2 910/4885ALDH1A1 1127/4885NPC1 94/4885

“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.