SCHEMBL2877448

SCHEMBL2877448

CC(C)(C)OC(=O)N1CC=C(c2c(F)cccc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.57
GRM1 Q13255 11/20 0.56
GRM5 P41594 11/20 0.56
NAMPT P43490 1/20 0.48
CNR1 P21554 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
HTR6 P50406 1/20 0.46
CDK9 P50750 1/20 0.43
JAK1 P23458 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL30270466 0.92 PDK4 (0.63) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL29768388 0.87 PDK4 (0.58) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL3545758 0.87 PDK4 (0.58) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL3466789 0.87 PDK4 (0.58) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL23216670 0.87 PDK4 (0.58) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL25044129 0.87 PDK4 (0.55) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL17223048 0.85 PDK4 (0.56) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL29915662 0.85 PDK4 (0.56) PDK4GRM1GRM5NAMPTCNR1
SCHEMBL4542408 0.85 GRM1 (0.56) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL29813309 0.84 PDK4 (0.63) PDK4GRM1GRM5NAMPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1930145-B Cycloalkanopyridine derivative MSD CO LTD 2011-06-15 CN disclosed
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
CN-1930145-A Cycloalkanopyridine derivative BANYU PHARMA CO LTD (JP) 2007-03-14 CN disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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 (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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 PDK4 997/4885GRM1 503/4885GRM5 325/4885

“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.