SCHEMBL3673395

SCHEMBL3673395

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
P2RY12 Q9H244 1/20 0.43
USP30 Q70CQ3 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
ENPP2 Q13822 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MLYCD O95822 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
PANK3 Q9H999 1/20 0.39
FOLH1 Q04609 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3668366 0.90 SCD (0.43) SCDP2RY12USP30HRH3ENPP2
SCHEMBL16493545 0.90 SCD (0.41) SCDP2RY12USP30ENPP2SMN1; SMN2
SCHEMBL3671047 0.86 ME2 (0.46) SCDP2RY12USP30HRH3ENPP2
SCHEMBL3669499 0.86 SCD (0.44) SCDP2RY12USP30HRH3ENPP2
SCHEMBL3672965 0.85 LMNA (0.55) SCDSMN1; SMN2KDM4EHDAC1ALDH1A1
SCHEMBL3671024 0.85 SCD (0.47) SCDP2RY12USP30HRH3SMN1; SMN2
SCHEMBL3667718 0.84 SCD (0.61) SCDP2RY12USP30HRH3SMN1; SMN2
SCHEMBL3670359 0.82 KDM4E (0.54) SCDENPP2SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3669106 0.82 SCD (0.49) SCDP2RY12USP30HRH3SMN1; SMN2
SCHEMBL3679332 0.82 P2RY12 (0.47) SCDP2RY12ENPP2SMN1; SMN2KDM4E

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 10 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
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP claimed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO 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 10/4885P2RY12 1164/4885USP30 4862/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885P2RY12 2489/4885USP30 1539/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885P2RY12 1164/4885USP30 4862/4885

“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.