SCHEMBL3671639

SCHEMBL3671639

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

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.47
HDAC6 Q9UBN7 1/20 0.46
DRD4 P21917 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 1/20 0.43
GPR6 P46095 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FOLH1 Q04609 1/20 0.42
NAMPT P43490 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
SCHEMBL3670636 0.99 SCD (0.47) SCDHDAC6DRD4DRD2DRD3
SCHEMBL3676792 0.97 SCD (0.48) SCDHDAC6DRD4DRD2DRD3
SCHEMBL3676232 0.94 MAPT (0.48) SCDHDAC6DRD4DRD2DRD3
SCHEMBL3678636 0.92 SCD (0.48) SCDHDAC6DRD4DRD2DRD3
SCHEMBL3677589 0.90 HPGD (0.50) SCDDRD4MEN1KMT2AGPR6
SCHEMBL3677104 0.90 SCD (0.56) SCDHDAC6DRD4MEN1KMT2A
SCHEMBL3671883 0.89 EGLN1 (0.47) SCDHDAC6DRD4DRD2DRD3
SCHEMBL3673770 0.89 SCD (0.49) SCDHDAC6DRD4DRD2DRD3
SCHEMBL30503203 0.88 SCD (0.57) SCDDRD4KMT2AGPR6NPC1
SCHEMBL2622409 0.88 SCD (0.57) SCDDRD4KMT2AGPR6NPC1

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 10/4885HDAC6 1797/4885DRD4 1987/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885HDAC6 196/4885DRD4 4058/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885HDAC6 1797/4885DRD4 1987/4885

“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.