SCHEMBL3673250

SCHEMBL3673250

COC(=O)c1ccc(N2CCNCC2)nc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
ALDH1A1 P00352 3/20 0.44
ADRB1 P08588 2/20 0.44
HTR2C P28335 2/20 0.44
USP2 O75604 2/20 0.44
CYP1A2 P05177 1/20 0.44
HTR1A P08908 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 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
SCHEMBL31547658 0.86 UCHL3 (0.45) KDM4EKMT2AMEN1ALDH1A1USP2
SCHEMBL18096347 0.83 PRKCQ (0.46) KDM4EKMT2AMEN1UCHL3PRKAB2
SCHEMBL16333807 0.78 MAP4K4 (0.52) KMT2AMEN1ALDH1A1
SCHEMBL26076035 0.77 HTR3E (0.51) KDM4ECYP3A4HSD17B10HTR3EHTR3B
SCHEMBL2875379 0.76 HTR3E (0.50) KDM4ECYP3A4HSD17B10HTR3EHTR3B
SCHEMBL16422608 0.76 HTR3E (0.51) KDM4EKMT2AMEN1CYP3A4HSD17B10
SCHEMBL31651657 0.76 HTR3E (0.50) KDM4ECYP3A4HSD17B10HTR3EHTR3B
SCHEMBL17371708 0.74 POLB (0.55) KDM4EALDH1A1TDP1UCHL3PRKAB2
SCHEMBL17075539 0.74 PRKAB2 (0.58) KDM4EKMT2AMEN1HSD17B10ALDH1A1
SCHEMBL31706338 0.74 HRH3 (0.52) KDM4EKMT2AMEN1HSD17B10HTR3A

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 9 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 disclosed
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-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP disclosed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO 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 (2 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 KDM4E 3385/4885KMT2A 3998/4885MEN1 1428/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT KDM4E 3385/4885KMT2A 3998/4885MEN1 1428/4885

“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.