SCHEMBL2880939

SCHEMBL2880939

CCOC(=O)C1CCc2cccnc2C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.50
CYP2C19 P33261 2/20 0.45
HRH1 P35367 3/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.41
PDK1 Q15118 1/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL2878655 0.81 DRD2 (0.49) CYP2C19ALDH1A1KMT2AKDM4ETP53
SCHEMBL2880257 0.81 PDK1 (0.46) CYP2C19ALDH1A1KMT2AKDM4ETP53
SCHEMBL2877908 0.80 HRH1 (0.45) OPRL1CYP2C19HRH1ALDH1A1KMT2A
SCHEMBL17803358 0.80 CYP2C19 (0.51) CYP2C19ALDH1A1KMT2AKDM4ETP53
Hydrochloric Acid SCHEMBL2883763 0.79 OPRL1 (0.45) OPRL1CYP2C19KDM4EL3MBTL1
SCHEMBL30437453 0.77 KDM4E (0.50) ALDH1A1KMT2AKDM4ENPSR1PDK1
SCHEMBL3630406 0.77 KDM4E (0.50) ALDH1A1KMT2AKDM4ENPSR1PDK1
SCHEMBL2882382 0.77 HRH1 (0.43) OPRL1CYP2C19HRH1ALDH1A1KMT2A
SCHEMBL17803354 0.77 IDH1 (0.47) CYP2C19ALDH1A1KMT2AKDM4ETP53
SCHEMBL2880406 0.76 KDM4E (0.47) ALDH1A1KMT2AKDM4EMAPTGAA

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
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US 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
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 1/4885CYP2C19 3238/4885HRH1 2720/4885

“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.