SCHEMBL5114539

SCHEMBL5114539

OC1(C#Cc2cccc(Cl)c2)CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
GRM5 P41594 4/20 0.39
LCAT P04180 1/20 0.39
CHRM4 P08173 2/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CCR2 P41597 2/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 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
SCHEMBL5118732 0.88 GRM5 (0.44) GRM5ALDH1A1
SCHEMBL5129720 0.85 LMNA (0.44) GRM5MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5129798 0.84 GRM5 (0.43) GRM5
SCHEMBL5121780 0.84 GRM5 (0.41) GRM5ALDH1A1TRPV1
SCHEMBL5118172 0.84 GRM5 (0.47) GRM5
SCHEMBL5123999 0.83 ALDH1A1 (0.46) GRM5MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5119696 0.82 ALDH1A1 (0.50) GRM5KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL5127910 0.81 GRM5 (0.43) GRM5MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5114859 0.81 GRIN2B (0.41) GRM5LCATHRH3
SCHEMBL5129125 0.79 GRM5 (0.43) GRM5ALDH1A1

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 ADRB1 497/4885FFAR4 667/4885GRM5 1/4885

“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.