SCHEMBL10169066

SCHEMBL10169066

CC(C)N1CCC[C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
NPC1 O15118 1/20 0.63
MCHR1 Q99705 2/20 0.57
USP30 Q70CQ3 5/20 0.52
BTK Q06187 1/20 0.51
HRH3 Q9Y5N1 5/20 0.51
CCR3 P51677 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL10168991 0.89 HRH3 (0.53) PKMNPC1MCHR1USP30HRH3
SCHEMBL10210766 0.86 HRH3 (0.58) USP30HRH3
SCHEMBL10168929 0.86 USP30 (0.66) PKMNPC1USP30HRH3RAB9A
SCHEMBL10168938 0.86 USP30 (0.52) PKMNPC1USP30HRH3RAB9A
SCHEMBL10210830 0.86 PKM (0.72) PKMNPC1MCHR1USP30BTK
SCHEMBL10168959 0.84 MCHR1 (0.52) PKMNPC1MCHR1USP30HRH3
SCHEMBL10168946 0.84 HRH3 (0.52) NPC1MCHR1USP30HRH3RAB9A
SCHEMBL10168947 0.83 SMYD3 (0.55) PKMNPC1USP30HRH3SMN1; SMN2
SCHEMBL13051465 0.82 L3MBTL1 (0.64) NPC1MCHR1RAB9A
SCHEMBL10212614 0.82 GRM5 (0.62) USP30HRH3CCR3

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 PKM 981/4885NPC1 1778/4885MCHR1 4816/4885

“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.