SCHEMBL3671047

SCHEMBL3671047

CCCCC(=O)N1CCN(c2ccc(C(=O)NC(C)CC(C)C)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ME2 P23368 6/20 0.46
ME1 P48163 6/20 0.46
ME3 Q16798 6/20 0.46
ENPP2 Q13822 4/20 0.46
HDAC1 Q13547 1/20 0.43
TIPARP Q7Z3E1 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SCD O00767 1/20 0.43
P2RY12 Q9H244 1/20 0.43
USP30 Q70CQ3 2/20 0.42
FOLH1 Q04609 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MLYCD O95822 1/20 0.39

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
SCHEMBL3675479 0.91 ME2 (0.47) ME2ME1ME3ENPP2HDAC1
SCHEMBL3673395 0.86 SCD (0.43) ENPP2HDAC1TIPARPHDAC6SCD
SCHEMBL3677309 0.85 LMNA (0.55) ME2ME1ME3ENPP2SCD
SCHEMBL3675138 0.84 SCD (0.61) ME2ME1ME3ENPP2HDAC1
SCHEMBL3676241 0.84 ENPP2 (0.51) ENPP2HDAC1TIPARPHDAC6SCD
SCHEMBL3669499 0.84 SCD (0.44) ENPP2SCDP2RY12USP30FOLH1
SCHEMBL3670359 0.82 KDM4E (0.54) ME2ME1ME3ENPP2SCD
SCHEMBL3678750 0.82 FOLH1 (0.51) ME2ME1ME3SCDP2RY12
SCHEMBL3667701 0.82 ME2 (0.46) ME2ME1ME3ENPP2HDAC1
SCHEMBL3675066 0.82 ME2 (0.49) ME2ME1ME3ENPP2HDAC1

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 ME2 12/4885ME1 66/4885ME3 25/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 ME2 2235/4885ME1 4516/4885ME3 3207/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT ME2 12/4885ME1 66/4885ME3 25/4885

“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.