SCHEMBL10168938

SCHEMBL10168938

CC(C)N1CCC[C@@H](NC(=O)c2cccc(C(=O)c3ccccc3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
HRH3 Q9Y5N1 7/20 0.49
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
GRM5 P41594 1/20 0.46
CHRM1 P11229 1/20 0.45
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL10169070 0.92 HRH3 (0.57) USP30HRH3PKMNPC1RAB9A
SCHEMBL10210766 0.89 HRH3 (0.58) USP30HRH3CHRM1
SCHEMBL10168929 0.89 USP30 (0.66) USP30HRH3PKMNPC1RAB9A
SCHEMBL10168947 0.88 SMYD3 (0.55) USP30HRH3PKMNPC1RAB9A
SCHEMBL10168946 0.86 HRH3 (0.52) USP30HRH3NPC1RAB9A
SCHEMBL10169066 0.86 PKM (0.67) USP30HRH3PKMNPC1RAB9A
SCHEMBL13051465 0.85 L3MBTL1 (0.64) NPC1RAB9AGRM5
SCHEMBL10212614 0.85 GRM5 (0.62) USP30HRH3GRM5
SCHEMBL10211667 0.85 USP30 (0.55) USP30PKMNPC1RAB9AGRM5
SCHEMBL10169095 0.83 NPC1 (0.67) USP30HRH3NPC1RAB9AGRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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 (1 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT USP30 4807/4885HRH3 1169/4885PKM 981/4885

“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.