SCHEMBL3672723

SCHEMBL3672723

COCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.56
SLC6A4 P31645 3/20 0.55
SCD O00767 2/20 0.51
HTR1A P08908 6/20 0.49
ADRA2A P08913 6/20 0.49
DRD2 P14416 6/20 0.48
TSHR P16473 4/20 0.48
DRD3 P35462 4/20 0.48
ADRA1A P35348 3/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
ADRA1D P25100 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
ADRA1B P35368 2/20 0.48

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
SCHEMBL3667941 0.92 LMNA (0.55) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3671235 0.92 LMNA (0.55) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3672044 0.91 LMNA (0.54) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3669761 0.91 LMNA (0.59) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3667093 0.90 LMNA (0.58) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3668986 0.89 LMNA (0.57) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3669496 0.88 LMNA (0.56) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3668223 0.88 SLC6A4 (0.49) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3677222 0.87 SCD (0.60) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL3668221 0.86 SCD (0.56) LMNAKMT2AALDH1A1HTTPOLB

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 LMNA 175/4885MEN1 1428/4885KMT2A 3998/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 LMNA 369/4885MEN1 2723/4885KMT2A 3153/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT LMNA 175/4885MEN1 1428/4885KMT2A 3998/4885

“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.