SCHEMBL5124116

SCHEMBL5124116

OC1(C#Cc2cccc(Cl)c2)CCN(c2ccccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
ADRB1 P08588 1/20 0.39
RBP4 P02753 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1B P35368 1/20 0.36
PTGES O14684 1/20 0.36
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5129146 0.89 GRM5 (0.47) GRM5ADRB1KMT2A
SCHEMBL5122183 0.84 GRM5 (0.43) GRM5PTGES
SCHEMBL5122918 0.84 GRM5 (0.54) GRM5ADRB1HTR1A
SCHEMBL5125859 0.83 GRM5 (0.47) GRM5ADRB1HTR1APTGES
SCHEMBL5124137 0.83 GRM5 (0.50) GRM5ADRB1HTR1APTGES
SCHEMBL5128492 0.82 GRM5 (0.43) GRM5
SCHEMBL5120508 0.81 GRM5 (0.41) GRM5DRD2DRD3HTR1APTGES
SCHEMBL5129376 0.81 GRM5 (0.46) GRM5KDM4EMEN1KMT2A
SCHEMBL5119696 0.80 ALDH1A1 (0.50) GRM5DRD2DRD4KDM4EMAPK1
SCHEMBL5128697 0.80 SIGMAR1 (0.45) GRM5DRD2DRD4DRD3KDM4E

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 3 patents. 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
EP-1856107-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS Novartis AG (CH) 2007-11-21 EP disclosed
WO-2006089700-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS NOVARTIS AG (CH) 2006-08-31 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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885DRD2 95/4885DRD4 258/4885

“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.