SCHEMBL601055

SCHEMBL601055

C[C@@H]1CC[C@H](c2nc(-c3ccc(F)cc3)co2)CN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HCRTR2 O43614 3/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
MPO P05164 1/20 0.34
MAPK14 Q16539 2/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MMP13 P45452 2/20 0.31

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
SCHEMBL599313 0.84 IGF1R (0.33) HCRTR2MPOMAPK14
SCHEMBL3581075 0.78 MAPK11 (0.47) MKNK1MKNK2MPOMAPK14MAPK13
SCHEMBL3581077 0.78 MAPK11 (0.47) MKNK1MKNK2MPOMAPK14MAPK13
SCHEMBL16453658 0.74 HCRTR2 (0.38) HCRTR2
SCHEMBL16445895 0.74 HCRTR2 (0.38) HCRTR2
SCHEMBL3800868 0.72 HCRTR2 (0.56) HCRTR2MAPK1
SCHEMBL601142 0.72 GRM5 (0.50) HSD17B10KDM4E
SCHEMBL599736 0.72 GRM5 (0.50) HSD17B10KDM4E
SCHEMBL24365374 0.71 PTGS1 (0.38) CSNK1A1CSNK1DRPS6KA3PTGS1PTGS2
SCHEMBL601125 0.71 HCRTR2 (0.57) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US disclosed
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US disclosed
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US disclosed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 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 (1 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-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS GRM5, GRIK5, GRM2 CSNK1A1 3003/4885CSNK1D 2635/4885RPS6KA3 1721/4885

“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.