SCHEMBL599414

SCHEMBL599414

C[C@@H]1CC[C@H](c2nc(-c3cc(Cl)c[nH]3)no2)CN1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.49
CLPP Q16740 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 2/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL7879774 1.00 GRM5 (0.49) GRM5CLPPMEN1KMT2AATM
SCHEMBL599809 0.92 GRM5 (0.47) GRM5CLPPHSD11B1
SCHEMBL599528 0.92 GRM5 (0.50) GRM5CLPPMEN1KMT2AATM
SCHEMBL600389 0.90 GRM5 (0.40) GRM5CLPPHSD11B1
SCHEMBL30795442 0.88 GRM5 (0.40) GRM5CLPPHSD11B1
SCHEMBL601066 0.88 GRM5 (0.40) GRM5CLPPHSD11B1
SCHEMBL30795726 0.87 HSD11B1 (0.52) GRM5HSD11B1
SCHEMBL600170 0.87 HSD11B1 (0.52) GRM5HSD11B1
SCHEMBL600581 0.87 GRM5 (0.40) GRM5HSD11B1
SCHEMBL600727 0.86 GRM5 (0.42) GRM5HSD11B1

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 6 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 claimed
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 US claimed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO 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

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 1/4885CLPP 4334/4885MEN1 4816/4885

“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.