SCHEMBL9918099

SCHEMBL9918099

C=C[C@@H]1CC[C@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 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
SCHEMBL15317038 0.86 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL8004785 0.86 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL22251831 0.82 HSD17B10 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL24757382 0.82 HSD17B10 (0.40) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL29241165 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL23600171 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL609152 0.80 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL10145613 0.80 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL607607 0.80 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL5848791 0.79 HSD17B10 (0.48) SMN1; SMN2HSD17B10HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER GLAXO GROUP LIMITED (GB) 2012-06-14 US disclosed
US-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER GLAXO GROUP LIMITED (GB) 2012-06-14 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-20120149723-A1 5-METHYL-PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDER HCRTR2, HCRTR1, HTR5A NR1H2 230/4885CHRM2 588/4885CHRM1 528/4885

“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.