SCHEMBL3672645

SCHEMBL3672645

COCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.48
DRD4 P21917 1/20 0.48
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.45
EGLN1 Q9GZT9 9/20 0.45
FOLH1 Q04609 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 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
SCHEMBL3673909 0.92 SCD (0.50) SCDDRD4RAB9AALDH1A1EGLN1
SCHEMBL3668227 0.91 SCD (0.46) SCDDRD4RAB9AALDH1A1FOLH1
SCHEMBL3677231 0.90 SCD (0.49) SCDDRD4RAB9AALDH1A1FOLH1
SCHEMBL3679337 0.89 SCD (0.49) SCDDRD4RAB9AALDH1A1FOLH1
SCHEMBL3673534 0.89 SCD (0.48) SCDDRD4RAB9AALDH1A1FOLH1
SCHEMBL3674464 0.88 SCD (0.47) SCDDRD4RAB9AALDH1A1EGLN1
SCHEMBL3667562 0.87 SCD (0.53) SCDDRD4RAB9AALDH1A1EGLN1
SCHEMBL3675677 0.87 SCD (0.49) SCDDRD4RAB9AALDH1A1EGLN1
SCHEMBL3671078 0.85 SCD (0.65) SCDDRD4RAB9AALDH1A1FOLH1
SCHEMBL3666489 0.85 SCD (0.60) SCDRAB9AALDH1A1NPC1LMNA

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 1987/4885RAB9A 1717/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885DRD4 4058/4885RAB9A 1976/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885DRD4 1987/4885RAB9A 1717/4885

“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.