SCHEMBL10169070

SCHEMBL10169070

CC(C)N1CCC[C@@H](NC(=O)c2ccc(C(=O)c3ccccc3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.57
CHRM1 P11229 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSK P43235 2/20 0.49
EZH2 Q15910 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.47
USP30 Q70CQ3 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL10210766 0.95 HRH3 (0.58) HRH3CHRM1SLC6A5CTSLCTSB
SCHEMBL10168938 0.92 USP30 (0.52) HRH3CHRM1NPC1RAB9APKM
SCHEMBL22643851 0.87 HRH3 (0.67) HRH3CHRM1SLC6A5CTSLCTSB
SCHEMBL20147538 0.87 HRH3 (0.67) HRH3CHRM1SLC6A5CTSLCTSB
SCHEMBL10168794 0.87 HRH3 (0.67) HRH3CHRM1SLC6A5CTSLCTSB
SCHEMBL10210770 0.85 NPC1 (0.59) HRH3SLC6A5CTSBCTSKNPC1
SCHEMBL10168929 0.85 USP30 (0.66) HRH3CTSLCTSBCTSKNPC1
SCHEMBL10211614 0.83 DRD4 (0.62) HRH3
SCHEMBL10168957 0.82 DRD4 (0.58) HRH3SLC6A5
SCHEMBL10210752 0.82 F10 (0.54) HRH3

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 4 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
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 WO 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 1169/4885CHRM1 2915/4885SLC6A5 4296/4885

“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.