SCHEMBL3669435

SCHEMBL3669435

CCC(C)CNC(=O)c1ccc(N2CCN(C(=O)c3cc(OC)ccc3Br)CC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.47
DRD4 P21917 1/20 0.41
GPR6 P46095 1/20 0.41
HPGD P15428 1/20 0.41
RET P07949 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
KRAS P01116 1/20 0.39
FASN P49327 2/20 0.39
MEN1 O00255 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PRKAA2 P54646 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3675983 0.87 SCD (0.62) SCDDRD4GPR6HPGDKMT2A
SCHEMBL3676792 0.86 SCD (0.48) SCDDRD4GPR6HPGDKMT2A
SCHEMBL3674847 0.86 SCD (0.57) SCDHPGDKMT2AMAPK1MEN1
SCHEMBL3670636 0.86 SCD (0.47) SCDDRD4KMT2AMEN1EGLN1
SCHEMBL3673770 0.85 SCD (0.49) SCDDRD4GPR6HPGDEGLN1
SCHEMBL3671639 0.85 SCD (0.47) SCDDRD4GPR6KMT2AMEN1
SCHEMBL3670264 0.85 SCD (0.45) SCDGPR6HPGDKMT2AMAPK1
SCHEMBL3678636 0.85 SCD (0.48) SCDDRD4GPR6EGLN1
SCHEMBL3667878 0.84 SCD (0.46) SCDDRD4GPR6HPGDKMT2A
SCHEMBL3671839 0.84 SCD (0.46) SCDGPR6HPGDKMT2AMAPK1

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 10/4885DRD4 1987/4885GPR6 1316/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885DRD4 4058/4885GPR6 2775/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885DRD4 1987/4885GPR6 1316/4885

“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.