SCHEMBL3669737

SCHEMBL3669737

CCC(C(=O)N1CCN(c2ccc(C(=O)NCCCc3ccccc3)cn2)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
SCD O00767 3/20 0.55
KDM4E B2RXH2 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4A O75164 1/20 0.51
NAMPT P43490 4/20 0.49
FOLH1 Q04609 1/20 0.46
EPHX2 P34913 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC1 Q13547 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
SCHEMBL3676941 0.97 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3677314 0.94 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3669122 0.92 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3675159 0.91 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3670347 0.91 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3669515 0.90 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3680178 0.89 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3677080 0.88 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3671998 0.88 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3667822 0.88 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 RAB9A 1717/4885NPC1 94/4885SMN1; SMN2 112/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 RAB9A 1976/4885NPC1 31/4885SMN1; SMN2 123/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT RAB9A 1717/4885NPC1 94/4885SMN1; SMN2 112/4885

“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.