SCHEMBL599313

SCHEMBL599313

C[C@@H]1CC[C@H](c2nc(-c3ccc(F)cn3)co2)CN1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.33
MPO P05164 1/20 0.32
MAPT P10636 1/20 0.32
HCRTR2 O43614 1/20 0.32
MCHR1 Q99705 1/20 0.31
KDR P35968 1/20 0.31
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31
CNR2 P34972 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
SCHEMBL601055 0.84 CSNK1A1 (0.36) MPOHCRTR2MAPK14
SCHEMBL599649 0.75 CNR2 (0.39) IGF1RMCHR1CNR2
SCHEMBL601149 0.74 HCRTR2 (0.48) HCRTR2MCHR1
SCHEMBL600284 0.72 HCRTR2 (0.50) HCRTR2MCHR1
SCHEMBL30795354 0.72 HCRTR2 (0.50) HCRTR2MCHR1
SCHEMBL16453658 0.71 HCRTR2 (0.38) HCRTR2
SCHEMBL16445895 0.71 HCRTR2 (0.38) HCRTR2
SCHEMBL7882881 0.70 HCRTR2 (0.44) HCRTR2
SCHEMBL14555098 0.67 MPO (0.53) MPO
SCHEMBL15943994 0.67 MPO (0.67) MPO

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 IGF1R 2230/4885MPO 4390/4885MAPT 1329/4885

“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.