SCHEMBL5261052

SCHEMBL5261052

CC(C)(C)OC(=O)C1CC(O)CCN1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
CNR2 P34972 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL28511390 0.86 CHRM2 (0.37) CHRM2CHRM1CHRM3DPP4DPP8
SCHEMBL7359958 0.85 MAPK1 (0.36) CHRM2CHRM1CHRM3DPP4HRH3
SCHEMBL22152561 0.85 MAPK1 (0.36) CHRM2CHRM1CHRM3DPP4HRH3
SCHEMBL7379626 0.85 MAPK1 (0.36) CHRM2CHRM1CHRM3DPP4HRH3
SCHEMBL29308170 0.82 DPP4 (0.41) CHRM2CHRM1CHRM3DPP4DPP8
SCHEMBL21673908 0.82 DPP4 (0.41) CHRM2CHRM1CHRM3DPP4DPP8
SCHEMBL695946 0.82 DPP4 (0.41) CHRM2CHRM1CHRM3DPP4DPP8
SCHEMBL4017978 0.82 DPP4 (0.41) CHRM2CHRM1CHRM3DPP4DPP8
SCHEMBL28146362 0.82 DPP4 (0.41) CHRM2CHRM1CHRM3DPP4DPP8
SCHEMBL28044033 0.81 CHRM2 (0.33) CHRM2CHRM1CHRM3HRH3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301279-B2 Piperidine carboxamide compound, preparation method, and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2019-05-28 US disclosed
US-20180044321-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-02-15 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 (2 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-20180044321-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USE THEREOF HSF1, HSP90AB1, HEATR1 CHRM2 4098/4885CHRM1 4510/4885CHRM3 4590/4885
US-10301279-B2 Piperidine carboxamide compound, preparation method, and use thereof HSF1, HSP90AB1, HSPD1 CHRM2 4296/4885CHRM1 4616/4885CHRM3 4629/4885

“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.