SCHEMBL412096

SCHEMBL412096

Clc1ccc(-c2nc(Cl)ncc2OCC2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
CNR1 P21554 3/20 0.48
PTGER1 P34995 3/20 0.40
KMO O15229 2/20 0.39
GABRA1 P14867 2/20 0.38
GABRA2 P47869 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HSD11B1 P28845 1/20 0.37
KDM1A O60341 2/20 0.37
EP300 Q09472 2/20 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
SCHEMBL412103 0.84 KMO (0.55) CNR2CNR1PTGER1KMO
SCHEMBL411006 0.81 CNR1 (0.51) CNR2CNR1PTGER1KMO
SCHEMBL10271088 0.79 CNR1 (0.53) CNR2CNR1PTGER1KMOHTR2C
SCHEMBL411498 0.77 CNR1 (0.51) CNR2CNR1PTGER1KMOHTR2C
SCHEMBL411492 0.75 CNR2 (0.47) CNR2CNR1PTGER1KMOHTR2C
SCHEMBL411043 0.75 CNR2 (0.66) CNR2CNR1PTGER1KMO
SCHEMBL2703698 0.72 CNR1 (0.53) CNR2CNR1GABRA1GABRA2KDM1A
SCHEMBL9935926 0.72 CNR1 (0.46) CNR2CNR1PTGER1KMO
SCHEMBL411448 0.71 CNR2 (0.55) CNR2CNR1PTGER1KMOHTR2C
SCHEMBL30919628 0.69 KDM4E (0.42) CNR1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
EP-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
EP-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (3 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885CNR1 269/4885PTGER1 676/4885
US-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 CNR2 1642/4885CNR1 1065/4885PTGER1 107/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885CNR1 269/4885PTGER1 676/4885

“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.