SCHEMBL6483370

SCHEMBL6483370

CCOC(=O)NC1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
DRD2 P14416 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
EPHX1 P07099 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD11B1 P28845 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL18380884 0.92 SMYD3 (0.47) DRD2SMYD3EPHX1NFKB1NFKB2
SCHEMBL7788916 0.92 SMYD3 (0.47) DRD2SMYD3EPHX1NFKB1NFKB2
SCHEMBL7470486 0.92
Hydrochloric Acid SCHEMBL3971132 0.90 SMYD3 (0.46) DRD2SMYD3EPHX1NFKB1NFKB2
SCHEMBL5949999 0.85 EPHX1 (0.48) DRD2SMYD3EPHX1NFKB1NFKB2
SCHEMBL12513735 0.85 EPHX1 (0.46) DRD2SMYD3EPHX1NFKB1NFKB2
SCHEMBL22722037 0.85 EPHX1 (0.46) DRD2SMYD3EPHX1NFKB1NFKB2
SCHEMBL15906231 0.85 EPHX1 (0.48) DRD2SMYD3EPHX1NFKB1NFKB2
SCHEMBL1053459 0.84 EPHX1 (0.57) EPHX1GAAALDH1A1HTTTSHR
SCHEMBL8396643 0.84 EPHX1 (0.53) EPHX1NFKB1NFKB2RELAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
WO-1996028157-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING L-ETRABAMINE, USES THEREOF, AND METHODS FOR PREPARING SAME LABORATOIRES JACQUES LOGEAIS (FR) 1996-09-19 WO 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR EPHX2 4731/4885DRD2 139/4885SMYD3 2293/4885

“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.