SCHEMBL18256403

SCHEMBL18256403

CC(C)(C)OC(=O)N1CC(CC2CC2)C[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
BTK Q06187 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
ATM Q13315 1/20 0.34
HTRA1 Q92743 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL5510416 1.00 NR1H2 (0.44) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL21408982 0.94 SMN1; SMN2 (0.43) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL28500054 0.94 SMN1; SMN2 (0.43) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL27230113 0.94 SMN1; SMN2 (0.43) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL21408983 0.94 SMN1; SMN2 (0.43) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL27207827 0.94 SMN1; SMN2 (0.43) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL28504704 0.91 SMN1; SMN2 (0.38) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL28504723 0.91 SMN1; SMN2 (0.38) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL28504724 0.91 SMN1; SMN2 (0.38) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL1239390 0.87 SMN1; SMN2 (0.49) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1

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-20160338999-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 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-20160338999-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NR1H2 156/4885SMN1; SMN2 4352/4885HSD17B10 1305/4885

“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.