SCHEMBL3671883

SCHEMBL3671883

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

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.47
SCD O00767 2/20 0.46
DRD4 P21917 2/20 0.44
FYN P06241 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GPR6 P46095 1/20 0.40
HPGD P15428 1/20 0.40
FASN P49327 1/20 0.40

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
SCHEMBL3676792 0.91 SCD (0.48) EGLN1SCDDRD4HDAC6DRD2
SCHEMBL3678636 0.91 SCD (0.48) EGLN1SCDDRD4HDAC6DRD2
SCHEMBL3670636 0.90 SCD (0.47) EGLN1SCDDRD4HDAC6DRD2
SCHEMBL3671639 0.89 SCD (0.47) SCDDRD4NPC1RAB9AHDAC6
SCHEMBL3676232 0.88 MAPT (0.48) EGLN1SCDDRD4NPC1RAB9A
SCHEMBL3673770 0.88 SCD (0.49) EGLN1SCDDRD4RAB9AHDAC6
SCHEMBL3677589 0.88 HPGD (0.50) EGLN1SCDDRD4NPC1RAB9A
SCHEMBL30503203 0.87 SCD (0.57) SCDDRD4NPC1RAB9AGPR6
SCHEMBL2622409 0.87 SCD (0.57) SCDDRD4NPC1RAB9AGPR6
SCHEMBL3675983 0.87 SCD (0.62) SCDDRD4NPC1RAB9ADRD2

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 EGLN1 2179/4885SCD 10/4885DRD4 1987/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 EGLN1 2901/4885SCD 1186/4885DRD4 4058/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT EGLN1 2179/4885SCD 10/4885DRD4 1987/4885

“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.