SCHEMBL600264

SCHEMBL600264

COC(=O)N1C[C@@H](c2nc(-c3ccc(F)cc3)co2)CC[C@H]1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.52
HCRTR1 O43613 1/20 0.41
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCHR1 Q99705 2/20 0.36

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
SCHEMBL7882826 0.89 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL3800868 0.88 HCRTR2 (0.56) HCRTR2HCRTR1MAPK1MAPTCYP1A2
SCHEMBL601125 0.86 HCRTR2 (0.57) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL7882881 0.76 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL601149 0.74 HCRTR2 (0.48) HCRTR2HCRTR1MCHR1
SCHEMBL30795354 0.74 HCRTR2 (0.50) HCRTR2HCRTR1MCHR1
SCHEMBL600284 0.74 HCRTR2 (0.50) HCRTR2HCRTR1MCHR1
SCHEMBL600265 0.72 HCRTR2 (0.41) HCRTR2MAPK1POLBTSHRLMNA
SCHEMBL3584731 0.72 GRM5 (0.68) MAPK1POLBTSHRLMNAMEN1
SCHEMBL3584728 0.72 GRM5 (0.68) MAPK1POLBTSHRLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421370-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP disclosed
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 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 (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 HCRTR2 102/4885HCRTR1 199/4885MAPK1 2288/4885

“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.