SCHEMBL3668233

SCHEMBL3668233

CCC(C)CCC(=O)N1CCN(c2ccc(C(=O)NCCCc3ccccc3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 4/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
SCD O00767 2/20 0.53
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ME2 P23368 3/20 0.51
ME1 P48163 3/20 0.51
ME3 Q16798 3/20 0.51
FOLH1 Q04609 1/20 0.48
NAMPT P43490 1/20 0.47
MAPK1 P28482 1/20 0.45
ENPP2 Q13822 1/20 0.43

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
SCHEMBL3673627 0.89 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3671043 0.88 ALDH1A1 (0.60) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3678722 0.86 RAB9A (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3672969 0.86 ALDH1A1 (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3670347 0.85 RAB9A (0.60) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3676958 0.84 RAB9A (0.66) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3669737 0.83 RAB9A (0.58) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3671998 0.82 RAB9A (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3673496 0.82 RAB9A (0.61) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL3667822 0.82 RAB9A (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT

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
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
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 (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 RAB9A 1717/4885SMN1; SMN2 112/4885ALDH1A1 1127/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 RAB9A 1976/4885SMN1; SMN2 123/4885ALDH1A1 3898/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT RAB9A 1717/4885SMN1; SMN2 112/4885ALDH1A1 1127/4885

“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.