SCHEMBL3671089

SCHEMBL3671089

Cc1ccc(CC(=O)N2CCN(c3ccc(C(=O)NCCC(C)C)cn3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PANK3 Q9H999 6/20 0.50
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
RAB9A P51151 3/20 0.46
ENPP2 Q13822 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NAMPT P43490 1/20 0.46
FOLH1 Q04609 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 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
SCHEMBL3677770 0.87 SMN1; SMN2 (0.55) SCDSMN1; SMN2KDM4EPANK3ME2
SCHEMBL3673257 0.87 SCD (0.56) SCDSMN1; SMN2KDM4EPANK3RAB9A
SCHEMBL3673900 0.87 SMN1; SMN2 (0.51) SCDSMN1; SMN2KDM4EPANK3ME2
SCHEMBL3668916 0.86 SMN1; SMN2 (0.54) SCDSMN1; SMN2KDM4EPANK3ME2
SCHEMBL3671541 0.86 SCD (0.59) SCDSMN1; SMN2KDM4EPANK3ME2
SCHEMBL3677191 0.86 SMN1; SMN2 (0.53) SCDSMN1; SMN2KDM4EPANK3ME2
SCHEMBL3676284 0.86 KDM4E (0.53) SCDSMN1; SMN2KDM4EPANK3ME2
SCHEMBL3670165 0.86 SMN1; SMN2 (0.65) SCDSMN1; SMN2KDM4EME2ME1
SCHEMBL3669416 0.86 SMN1; SMN2 (0.53) SCDSMN1; SMN2KDM4EPANK3ME2
SCHEMBL3675987 0.85 SMN1; SMN2 (0.53) SCDSMN1; SMN2KDM4EPANK3ME2

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 SCD 10/4885SMN1; SMN2 112/4885KDM4E 3385/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885SMN1; SMN2 123/4885KDM4E 4395/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885SMN1; SMN2 112/4885KDM4E 3385/4885

“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.