SCHEMBL10211665

SCHEMBL10211665

CC(C)N1CCC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KAT6A Q92794 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 3/20 0.42
USP30 Q70CQ3 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL10169077 0.85 HRH3 (0.48) HRH3KMT2AMAPTNPC1RAB9A
SCHEMBL10169042 0.81 PLOD2 (0.47) HRH3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10168947 0.80 SMYD3 (0.55) HRH3NPC1RAB9ASMN1; SMN2USP30
SCHEMBL13051465 0.79 L3MBTL1 (0.64) NPC1RAB9A
SCHEMBL10212614 0.79 GRM5 (0.62) HRH3KMT2AUSP30
SCHEMBL10169110 0.79 HRH3 (0.49) HRH3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10210766 0.78 HRH3 (0.58) HRH3USP30
SCHEMBL10168938 0.78 USP30 (0.52) HRH3NPC1RAB9AUSP30
SCHEMBL10168946 0.78 HRH3 (0.52) HRH3ALDH1A1NPC1RAB9AUSP30
SCHEMBL10168929 0.78 USP30 (0.66) HRH3NPC1RAB9APPARAPPARD

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 HRH3 1169/4885KMT2A 2299/4885ALDH1A1 2193/4885

“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.