SCHEMBL10179303

SCHEMBL10179303

O=C(O)[C@@H]1CC2(CCC(F)(F)CC2)CN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.34
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CNR2 P34972 3/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRIK3 Q13003 1/20 0.30
GRIK5 Q16478 1/20 0.30

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
SCHEMBL21806853 0.91 GRM2 (0.36) PEPDGRM2GRM3
SCHEMBL25364146 0.91 GRM2 (0.36) PEPDGRM2GRM3
SCHEMBL31122379 0.84 GRM2 (0.33) GRM2GRM3
SCHEMBL10179221 0.84 GRM2 (0.33) GRM2GRM3
SCHEMBL22636144 0.84 GRM2 (0.34) PEPDGRM2GRM3
SCHEMBL25365226 0.84 GRM2 (0.34) PEPDGRM2GRM3
SCHEMBL29860938 0.81
SCHEMBL3512916 0.80 GRM2 (0.36) GRM2GRM3GRIK1GRIK2GRIK3
SCHEMBL4254372 0.80 GRM2 (0.36) GRM2GRM3GRIK1GRIK2GRIK3
SCHEMBL6919995 0.80 GRM2 (0.36) GRM2GRM3GRIK1GRIK2GRIK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
EP-3006441-A1 NS5A INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-9150587-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2015-10-06 US disclosed
US-20140371455-A1 Chemical compounds JANSSEN PHARMACEUTICALS INC (US) 2014-12-18 US disclosed
US-8853416-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2014-10-07 US disclosed
US-20130274304-A1 Chemical Compounds Janssen Pharmaceuticals, Inc. 2013-10-17 US disclosed
US-8492554-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-20130072690-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-03-21 US disclosed
EP-2473056-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2012-07-11 EP 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 (5 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-20150374668-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 PEPD 1941/4885GRM2 4204/4885GRM3 2144/4885
US-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 PEPD 1941/4885GRM2 4204/4885GRM3 2144/4885
US-20140371455-A1 Chemical compounds SLC10A1, UGT1A3, UGT2B7 PEPD 1941/4885GRM2 4204/4885GRM3 2144/4885
US-20130072690-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 PEPD 1941/4885GRM2 4204/4885GRM3 2144/4885
US-20130274304-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 PEPD 1941/4885GRM2 4204/4885GRM3 2144/4885

“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.