SCHEMBL9973791

SCHEMBL9973791

O=C(N[C@@H]1CCCCC1=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.53
CNR2 P34972 2/20 0.40
TACR2 P21452 2/20 0.38
TACR1 P25103 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
SCHEMBL9935482 0.87 CNR1 (0.49) CNR1CNR2TACR2TACR1
SCHEMBL9935434 0.87 CNR1 (0.49) CNR1CNR2TACR2TACR1
SCHEMBL9931384 0.86 CNR1 (0.72) CNR1CNR2TACR2
SCHEMBL9973792 0.84 CNR1 (0.74) CNR1CNR2TACR2
SCHEMBL9935929 0.79 CNR1 (0.41) CNR1CNR2TACR2TACR1
SCHEMBL9932199 0.77 CNR1 (0.60) CNR1CNR2TACR2
SCHEMBL9931115 0.77 CNR1 (0.60) CNR1CNR2TACR2
SCHEMBL410983 0.77 CNR1 (0.48) CNR1
SCHEMBL412280 0.75 CNR1 (0.47) CNR1CNR2
SCHEMBL9978233 0.75 CNR1 (0.46) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 US disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 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

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-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 CNR1 1065/4885CNR2 1642/4885TACR2 2296/4885

“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.