SCHEMBL3679019

SCHEMBL3679019

Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)NCCCCc4ccccc4)cn3)CC2)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.61
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 4/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 2/20 0.48
NAMPT P43490 2/20 0.45
FOLH1 Q04609 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3670254 0.97 SCD (0.62) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3679266 0.94 SCD (0.69) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3670642 0.88 LMNA (0.58) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3676764 0.88 LMNA (0.57) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3673516 0.87 LMNA (0.59) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3671418 0.86 KDM4E (0.57) SCDSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3675257 0.85 SCD (0.61) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3675294 0.85 SMN1; SMN2 (0.56) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3670752 0.85 SCD (0.67) SCDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3669524 0.84 SCD (0.66) SCDSMN1; SMN2NPC1RAB9ALMNA

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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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 (2 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 SCD 10/4885SMN1; SMN2 112/4885NPC1 94/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885SMN1; SMN2 112/4885NPC1 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.