SCHEMBL10211643

SCHEMBL10211643

CC(C)N1CCC[C@@H](NC(=O)c2cccc(-c3cncnc3)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.53
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MAP4K4 O95819 1/20 0.43
WNT1 P04628 1/20 0.42
DYRK1A Q13627 1/20 0.42
ERN1 O75460 1/20 0.42

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
SCHEMBL10168929 0.88 USP30 (0.66) USP30DRD2DRD4HRH3ERN1
SCHEMBL10168990 0.85 USP30 (0.57) USP30DRD2DRD4HRH3ROCK2
SCHEMBL10169054 0.84 USP30 (0.53) USP30DRD2DRD4HRH3
SCHEMBL10168996 0.84 USP30 (0.56) USP30DRD2DRD4HRH3
SCHEMBL10169119 0.82 USP30 (0.47) USP30DRD2DRD4HRH3TLR9
SCHEMBL10168947 0.82 SMYD3 (0.55) USP30HRH3
SCHEMBL13051465 0.81 L3MBTL1 (0.64)
SCHEMBL10212614 0.81 GRM5 (0.62) USP30HRH3
SCHEMBL10210753 0.81 USP30 (0.49) USP30DRD2DRD4HRH3TLR9
SCHEMBL10169142 0.81 USP30 (0.47) USP30DRD2DRD4HRH3TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4807/4885DRD2 4504/4885DRD4 4825/4885

“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.