SCHEMBL3676232

SCHEMBL3676232

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

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
SCD O00767 2/20 0.46
DRD4 P21917 2/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GPR6 P46095 1/20 0.43
EGLN1 Q9GZT9 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL3677589 0.95 HPGD (0.50) MAPTGAASCDDRD4HPGD
SCHEMBL3676792 0.95 SCD (0.48) SCDDRD4HPGDGPR6EGLN1
SCHEMBL3670636 0.94 SCD (0.47) SCDDRD4EGLN1HDAC6DRD2
SCHEMBL3671639 0.94 SCD (0.47) SCDDRD4GPR6HDAC6DRD2
SCHEMBL3678636 0.93 SCD (0.48) SCDDRD4GPR6EGLN1HDAC6
SCHEMBL3673770 0.90 SCD (0.49) SCDDRD4HPGDGPR6EGLN1
SCHEMBL3668264 0.88 SCD (0.54) MAPTSCDHPGDSMN1; SMN2NPC1
SCHEMBL3671883 0.88 EGLN1 (0.47) SCDDRD4HPGDGPR6EGLN1
SCHEMBL30503203 0.86 SCD (0.57) MAPTSCDDRD4HPGDSMN1; SMN2
SCHEMBL2622409 0.86 SCD (0.57) MAPTSCDDRD4HPGDSMN1; SMN2

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 MAPT 2923/4885GAA 1052/4885SCD 10/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 MAPT 7/4885GAA 148/4885SCD 1186/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT MAPT 2923/4885GAA 1052/4885SCD 10/4885

“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.