SCHEMBL412065

SCHEMBL412065

OCc1cc(I)c(OCC2CC2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.42
CNR2 P34972 8/20 0.34
PTGER1 P34995 2/20 0.34
DHFR P00374 1/20 0.33
CHUK O15111 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KMO O15229 1/20 0.32
S1PR4 O95977 1/20 0.32

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
SCHEMBL411440 0.78 BPTF (0.37) THRBS1PR4
SCHEMBL411899 0.78 CNR1 (0.41) RHEBCNR2PTGER1KMO
SCHEMBL20594055 0.75 CNR1 (0.42) RHEBCNR2DHFRKMO
SCHEMBL20594052 0.75 S1PR4 (0.42) RHEBCNR2PTGER1S1PR4
SCHEMBL29423329 0.75 CNR1 (0.42) RHEBCNR2DHFRKMO
SCHEMBL844045 0.75 HSD17B10 (0.35) S1PR4
SCHEMBL440864 0.75 RORC (0.33) CNR2THRBS1PR4
SCHEMBL16517376 0.74 KDM4E (0.36) S1PR4
SCHEMBL843578 0.73 KMT2A (0.33) S1PR4
SCHEMBL16533544 0.73 S1PR4 (0.32) THRATHRBS1PR4

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 25 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
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-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 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 (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 RHEB 3414/4885CNR2 69/4885PTGER1 129/4885
US-20200239490-A1 PYRIDINE DERIVATIVES NDUFS6, NDUFS3, CYP11B2 RHEB 3414/4885CNR2 69/4885PTGER1 129/4885
US-11117903-B2 Pyridine derivatives NDUFS6, NDUFS3, CYP11B2 RHEB 3414/4885CNR2 69/4885PTGER1 129/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR RHEB 1851/4885CNR2 435/4885PTGER1 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.