SCHEMBL1644672

SCHEMBL1644672

OC1CCC(Oc2ncc(C#Cc3ccccc3)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.44
GRM5 P41594 7/20 0.38
GRM4 Q14833 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HAO1 Q9UJM8 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL6886691 0.81 ACACB (0.59) ACACB
SCHEMBL1642513 0.79 ACACB (0.46) ACACBGRM5
SCHEMBL17698440 0.79 ACACB (0.46) ACACBGRM5
SCHEMBL1642516 0.79 ACACB (0.46) ACACBGRM5
SCHEMBL1644286 0.75 MERTK (0.40) GRM5
SCHEMBL1644284 0.75 MERTK (0.40) GRM5
SCHEMBL31087480 0.74 ACACB (0.49) ACACB
SCHEMBL26603015 0.74 ACACB (0.49) ACACB
SCHEMBL22131767 0.67 ACACB (0.55) ACACBFFAR4
SCHEMBL1643062 0.66 GRM5 (0.46) ACACBGRM5GRM4FFAR1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493856-B1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 US 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 ACACB 4012/4885GRM5 1/4885GRM4 4/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 ACACB 4012/4885GRM5 1/4885GRM4 4/4885

“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.