SCHEMBL601360

SCHEMBL601360

C[C@H]1CC[C@@H](c2noc(-c3ccc(F)cc3)n2)CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.49
HCRTR2 O43614 13/20 0.49
IDO1 P14902 1/20 0.48
GRM5 P41594 2/20 0.47
CLPP Q16740 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TACR3 P29371 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP7 Q93009 1/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL599430 1.00 HCRTR1 (0.49) HCRTR1HCRTR2IDO1GRM5CLPP
SCHEMBL599266 0.89 IDO1 (0.50) HCRTR1HCRTR2IDO1GRM5USP7
SCHEMBL599268 0.89 IDO1 (0.50) HCRTR1HCRTR2IDO1GRM5USP7
SCHEMBL599267 0.89 IDO1 (0.50) HCRTR1HCRTR2IDO1GRM5USP7
SCHEMBL30794584 0.88 GRM5 (0.46) HCRTR1HCRTR2IDO1GRM5
SCHEMBL599401 0.88 GRM5 (0.46) HCRTR1HCRTR2IDO1GRM5
SCHEMBL600480 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL30794426 0.87 HCRTR2 (0.49) HCRTR1HCRTR2GRM5CYP1A2CYP2C9
SCHEMBL600759 0.87 HCRTR2 (0.49) HCRTR1HCRTR2GRM5CYP1A2CYP2C9
SCHEMBL599627 0.87 HCRTR2 (0.49) HCRTR1HCRTR2GRM5CYP1A2CYP2C9

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 7 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 claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO 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
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 HCRTR1 199/4885HCRTR2 102/4885IDO1 3079/4885

“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.