SCHEMBL3673770

SCHEMBL3673770

COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NCCCOC(C)C)cn3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.49
EGLN1 Q9GZT9 2/20 0.44
ALDH1A1 P00352 2/20 0.44
DRD4 P21917 1/20 0.44
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.42
GPR6 P46095 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FOLH1 Q04609 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAMPT P43490 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL3678636 0.93 SCD (0.48) SCDEGLN1DRD4GPR6HDAC6
SCHEMBL3677589 0.90 HPGD (0.50) SCDEGLN1ALDH1A1DRD4HPGD
SCHEMBL3676232 0.90 MAPT (0.48) SCDEGLN1ALDH1A1DRD4HPGD
SCHEMBL3676792 0.90 SCD (0.48) SCDEGLN1DRD4HPGDGPR6
SCHEMBL3670636 0.89 SCD (0.47) SCDEGLN1DRD4FOLH1HDAC6
SCHEMBL3675983 0.89 SCD (0.62) SCDALDH1A1DRD4HPGDRAB9A
SCHEMBL3671639 0.89 SCD (0.47) SCDDRD4RAB9AGPR6FOLH1
SCHEMBL3671883 0.88 EGLN1 (0.47) SCDEGLN1DRD4HPGDRAB9A
SCHEMBL3666514 0.88 SCD (0.59) SCDEGLN1ALDH1A1RAB9ATSHR
SCHEMBL30503203 0.86 SCD (0.57) SCDALDH1A1DRD4HPGDRAB9A

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 SCD 10/4885EGLN1 2179/4885ALDH1A1 1127/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885EGLN1 2901/4885ALDH1A1 3898/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885EGLN1 2179/4885ALDH1A1 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.