SCHEMBL10168965

SCHEMBL10168965

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
CTSD P07339 1/20 0.47
BACE1 P56817 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
SSTR5 P35346 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
USP30 Q70CQ3 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
SCHEMBL10212185 0.89 KMT2A (0.48) HTTKMT2AALDH1A1HRH3
SCHEMBL10168947 0.84 SMYD3 (0.55) HSD17B10HRH3ALOX15USP30
SCHEMBL10212614 0.83 GRM5 (0.62) KMT2AHRH3USP30
SCHEMBL13051465 0.83 L3MBTL1 (0.64)
SCHEMBL10210766 0.82 HRH3 (0.58) HRH3USP30
SCHEMBL10168929 0.82 USP30 (0.66) HRH3USP30
SCHEMBL10168938 0.82 USP30 (0.52) HRH3USP30
SCHEMBL10168946 0.82 HRH3 (0.52) ALDH1A1HRH3TSHRUSP30
SCHEMBL10168991 0.81 HRH3 (0.53) HTTKMT2AGAAALDH1A1HRH3
SCHEMBL10169095 0.81 NPC1 (0.67) HTTKMT2AGAAALDH1A1HSD17B10

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 3 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
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 HTT 3854/4885KMT2A 2299/4885GAA 1274/4885

“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.