SCHEMBL2880299

SCHEMBL2880299

CC(C)(C)[Si](C)(C)OC1CC(C(=O)O)CCc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.35
KCNH2 Q12809 2/20 0.35
IDH1 O75874 2/20 0.34
FNTA P49354 7/20 0.33
FNTB P49356 7/20 0.33
FAAH O00519 4/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL12975874 0.86 CYP2C19 (0.39) IDH1FNTAFNTBKDM4ECYP2C19
SCHEMBL2883261 0.81 OPRL1 (0.39) OPRL1KCNH2FNTAFNTB
SCHEMBL2877878 0.81 OPRL1 (0.39) OPRL1KCNH2FNTAFNTB
SCHEMBL2147997 0.78 CYP2D6 (0.37)
SCHEMBL12975879 0.77 OPRL1 (0.37) OPRL1KCNH2
SCHEMBL12975917 0.77 CYP2C19 (0.39) FNTAFNTBKDM4ECYP2C19
SCHEMBL13000046 0.75 OPRL1 (0.36) OPRL1KCNH2
SCHEMBL2877588 0.75 OPRL1 (0.49) OPRL1KCNH2FAAHTRPV1KDM4E
SCHEMBL2877407 0.74 OPRL1 (0.43) OPRL1KCNH2FNTAFNTB
SCHEMBL2877409 0.74 OPRL1 (0.43) OPRL1KCNH2FNTAFNTB

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-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
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 OPRL1 1/4885KCNH2 969/4885IDH1 3596/4885

“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.