SCHEMBL599736

SCHEMBL599736

C[C@H]1CC[C@@H](c2noc(-c3ccc(F)cc3)n2)CN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
IDO1 P14902 1/20 0.47
USP7 Q93009 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
AOC3 Q16853 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL601142 1.00 GRM5 (0.50) GRM5IDO1USP7CA1CA2
SCHEMBL599649 0.83 CNR2 (0.39) GRM5IDO1USP7CA1CA2
Hydrochloric Acid SCHEMBL4229124 0.77 USP7 (0.52) GRM5IDO1USP7CA1CA2
Hydrochloric Acid SCHEMBL4229128 0.77 USP7 (0.52) GRM5IDO1USP7CA1CA2
Hydrochloric Acid SCHEMBL4233523 0.77 USP7 (0.52) GRM5IDO1USP7CA1CA2
SCHEMBL10040533 0.77 USP7 (0.74) GRM5IDO1USP7CA1CA2
SCHEMBL27876556 0.75 IDO1 (0.53) GRM5IDO1USP7CA1CA2
SCHEMBL10152531 0.73 MAP4K4 (0.33)
SCHEMBL599266 0.72 IDO1 (0.50) GRM5IDO1USP7CA1CA2
SCHEMBL599268 0.72 IDO1 (0.50) GRM5IDO1USP7CA1CA2

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 GRM5 1/4885IDO1 3079/4885USP7 2900/4885

“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.