SCHEMBL90344

SCHEMBL90344

CC(C)CCNC(=O)[C@H]1C[C@@H](CNC2CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
NR1H2 P55055 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CHRM1 P11229 3/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL90409 1.00 HSD17B10 (0.44) HSD17B10NR1H2NAMPTALDH1A1GAA
SCHEMBL90738 0.86 NR1H2 (0.52) HSD17B10NR1H2NAMPTALDH1A1GAA
SCHEMBL89726 0.86 NR1H2 (0.52) HSD17B10NR1H2NAMPTALDH1A1GAA
SCHEMBL90735 0.81 HSD17B10 (0.47) HSD17B10NR1H2NAMPTALDH1A1CHRM1
SCHEMBL90387 0.81 HSD17B10 (0.47) HSD17B10NR1H2NAMPTALDH1A1CHRM1
SCHEMBL89075 0.81 HSD17B10 (0.47) HSD17B10NR1H2NAMPTALDH1A1CHRM1
SCHEMBL90388 0.80 HSD17B10 (0.46) HSD17B10NR1H2NAMPTALDH1A1GAA
SCHEMBL89729 0.80 HSD17B10 (0.46) HSD17B10NR1H2NAMPTALDH1A1GAA
SCHEMBL89542 0.80 HSD17B10 (0.46) HSD17B10NR1H2NAMPTALDH1A1GAA
SCHEMBL23924456 0.79 NAMPT (0.52) NR1H2NAMPTALDH1A1KMT2AMEN1

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 HSD17B10 2045/4885NR1H2 1327/4885NAMPT 3041/4885

“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.