SCHEMBL13178176

SCHEMBL13178176

CC1(C)CCC(NCl)CC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL7818441 0.74 EPHX2 (0.38) EPHX2LMNABLM
SCHEMBL8229760 0.72 EPHX2 (0.36) EPHX2
Hydrochloric Acid SCHEMBL25328842 0.72 EPHX2 (0.37) EPHX2LMNABLM
SCHEMBL27573855 0.71
SCHEMBL12671108 0.70 NPSR1 (0.30)
SCHEMBL19132828 0.70 PSEN1 (0.40) EPHX2LMNABLM
SCHEMBL12671555 0.70 NPSR1 (0.30)
SCHEMBL12671355 0.70 NPSR1 (0.30)
Hydrochloric Acid SCHEMBL15540415 0.70 EPHX2 (0.36) EPHX2LMNABLM
SCHEMBL21166029 0.69 EPHX2 (0.35) EPHX2LMNABLM

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
EP-2892880-B1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-11-22 EP disclosed
US-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 US disclosed
WO-2014037900-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-03-13 WO disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (2 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-20160355477-A1 INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF TPH1, TPH2, IARS2 EPHX2 4403/4885LMNA 2414/4885BLM 4597/4885
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 EPHX2 1616/4885LMNA 4551/4885BLM 4835/4885

“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.