SCHEMBL411450

SCHEMBL411450

O=C(O)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.66
KMO O15229 3/20 0.56
CNR1 P21554 7/20 0.46
MAP4K4 O95819 2/20 0.46
PTGER1 P34995 1/20 0.43

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
SCHEMBL30680327 1.00 CNR2 (0.66) CNR2KMOCNR1MAP4K4PTGER1
SCHEMBL30680252 0.88 KMO (0.59) CNR2KMOCNR1MAP4K4
SCHEMBL20594053 0.88 KMO (0.59) CNR2KMOCNR1MAP4K4
SCHEMBL20594095 0.86 KMO (0.51) CNR2KMOCNR1PTGER1
SCHEMBL30680237 0.86 KMO (0.51) CNR2KMOCNR1PTGER1
SCHEMBL411891 0.82 MAP4K4 (0.49) CNR2KMOMAP4K4
SCHEMBL20594044 0.82 CNR2 (0.67) CNR2CNR1
SCHEMBL26095416 0.81 CNR2 (0.61) CNR2CNR1
SCHEMBL411937 0.81 CNR1 (0.52) CNR2KMOCNR1MAP4K4
SCHEMBL411448 0.81 CNR2 (0.55) CNR2KMOCNR1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110753690-B Pyridine derivatives 豪夫迈·罗氏有限公司 2023-12-05 CN disclosed
EP-3642200-B1 PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
US-20220064178-A1 PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-03-03 US disclosed
US-11117903-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-09-14 US disclosed
US-20200239490-A1 PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-07-30 US disclosed
EP-3642200-A1 PYRIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
CN-110753690-A Pyridine derivatives 豪夫迈·罗氏有限公司 2020-02-04 CN disclosed
WO-2018234284-A1 PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 WO disclosed
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-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 (4 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-20220064178-A1 PYRIDINE DERIVATIVES NDUFS6, NDUFS3, CYP11B2 CNR2 69/4885KMO 1836/4885CNR1 26/4885
US-20200239490-A1 PYRIDINE DERIVATIVES NDUFS6, NDUFS3, CYP11B2 CNR2 69/4885KMO 1836/4885CNR1 26/4885
US-11117903-B2 Pyridine derivatives NDUFS6, NDUFS3, CYP11B2 CNR2 69/4885KMO 1836/4885CNR1 26/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885KMO 2423/4885CNR1 269/4885

“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.