SCHEMBL411899

SCHEMBL411899

OCc1cc(-c2ccc(Cl)cc2)c(OCC2CC2)c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.41
CNR2 P34972 3/20 0.41
NOTUM Q6P988 1/20 0.40
RHEB Q15382 1/20 0.39
PTGER1 P34995 2/20 0.38
APP P05067 1/20 0.37
KMO O15229 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 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
SCHEMBL20594055 0.89 CNR1 (0.42) CNR1CNR2RHEBAPPKMO
SCHEMBL29423329 0.89 CNR1 (0.42) CNR1CNR2RHEBAPPKMO
SCHEMBL20594052 0.86 S1PR4 (0.42) CNR1CNR2NOTUMRHEBPTGER1
SCHEMBL412279 0.81 KMT2A (0.43) NOTUM
SCHEMBL411448 0.79 CNR2 (0.55) CNR1CNR2NOTUMPTGER1KMO
SCHEMBL412065 0.78 RHEB (0.42) CNR2RHEBPTGER1KMO
SCHEMBL463741 0.77 RORC (0.39) CNR1NOTUMAPP
SCHEMBL15968667 0.70 S1PR4 (0.52) CNR2PTGER1KMO
SCHEMBL20594100 0.68 CNR1 (0.44) CNR1CNR2PTGER1
SCHEMBL20594094 0.68 CNR2 (0.45) CNR1CNR2KMO

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 18 patents. 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
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-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
CN-103118680-A Heteroarylmethyl amides HOFFMANN LA ROCHE 2013-05-22 CN 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 (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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885CNR2 435/4885NOTUM 391/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885CNR2 435/4885NOTUM 391/4885

“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.