SCHEMBL2882492

SCHEMBL2882492

CC(=O)OC1CC(C(=O)O)Cc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
FAAH O00519 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
SLC18A3 Q16572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
IDH1 O75874 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRL1 P41146 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL2883520 0.82 DPP8 (0.33) FAAHSLC18A3KDM4ECYP2C19L3MBTL1
SCHEMBL2878241 0.79 OPRL1 (0.40) FAAHKDM4ECYP2C19IDH1L3MBTL1
SCHEMBL2147611 0.76 CHRM4 (0.41)
SCHEMBL3312248 0.73 HDAC1 (0.44)
SCHEMBL10286472 0.73 HDAC1 (0.44)
SCHEMBL4713765 0.72 HDAC1 (0.43)
SCHEMBL924248 0.72 CYP2C19 (0.42) ALOX15KDM4ECYP2C19L3MBTL1
SCHEMBL2880299 0.69 OPRL1 (0.35) FAAHKDM4ECYP2C19IDH1OPRL1
SCHEMBL17768596 0.69 KDM4E (0.36) SLC18A3KDM4EGABRA1GABRB2L3MBTL1
SCHEMBL369170 0.68 KDM4E (0.41) TSHRALOX15FAAHKDM4ECYP2C19

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 TSHR 213/4885ALOX15 1018/4885FAAH 963/4885

“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.