SCHEMBL10168959

SCHEMBL10168959

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.52
HRH3 Q9Y5N1 6/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
USP30 Q70CQ3 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL10211671 0.88 MCHR1 (0.54) MCHR1TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL10168991 0.86 HRH3 (0.53) MCHR1HRH3RAB9ASMN1; SMN2HPGD
SCHEMBL10169066 0.84 PKM (0.67) MCHR1HRH3RAB9ASMN1; SMN2HPGD
SCHEMBL10212614 0.81 GRM5 (0.62) HRH3KMT2AUSP30
SCHEMBL10168946 0.80 HRH3 (0.52) MCHR1HRH3RAB9ANPC1USP30
SCHEMBL10168947 0.80 SMYD3 (0.55) HRH3RAB9ASMN1; SMN2PKMNPC1
SCHEMBL13051465 0.79 L3MBTL1 (0.64) MCHR1RAB9ANPC1
SCHEMBL10210766 0.78 HRH3 (0.58) HRH3USP30SLC6A5
SCHEMBL10168938 0.78 USP30 (0.52) HRH3RAB9APKMNPC1USP30
SCHEMBL10168929 0.78 USP30 (0.66) HRH3RAB9APKMNPC1USP30

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 MCHR1 4816/4885HRH3 1169/4885TAS1R3 2389/4885

“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.