SCHEMBL5114859

SCHEMBL5114859

OC1(C#Cc2cccc(Cl)c2)CCN(c2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.41
GRM5 P41594 4/20 0.41
PHGDH O43175 3/20 0.38
LCAT P04180 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
PTGES O14684 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CXCR3 P49682 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL5118315 0.85 HTR3E (0.45) GRM5PTGES
SCHEMBL5128572 0.83 GRM5 (0.49) GRIN2BGRM5PTGES
SCHEMBL5118172 0.81 GRM5 (0.47) GRM5PTGES
SCHEMBL5114539 0.81 ADRB1 (0.46) GRM5LCATHRH3
SCHEMBL5129720 0.81 LMNA (0.44) GRM5
SCHEMBL5119696 0.80 ALDH1A1 (0.50) GRM5DRD2
SCHEMBL5128709 0.80 GRM5 (0.43) GRM5PTGES
SCHEMBL5127832 0.80 GRM5 (0.47) GRM5HSD11B1
SCHEMBL5127910 0.79 GRM5 (0.43) GRM5
SCHEMBL5118732 0.78 GRM5 (0.44) GRM5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 GRIN2B 7/4885GRM5 1/4885PHGDH 1421/4885

“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.