SCHEMBL5124137

SCHEMBL5124137

OC1(C#Cc2cccc(Cl)c2)CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.50
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5122918 0.93 GRM5 (0.54) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL5125859 0.89 GRM5 (0.47) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL5124317 0.88 GRM5 (0.45) GRM5PTGES
SCHEMBL5117988 0.86 GRM5 (0.46) GRM5PTGES
SCHEMBL5123311 0.85 DRD2 (0.50) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL5130025 0.85 GRM5 (0.44) GRM5PTGES
SCHEMBL5130933 0.84 GRM5 (0.54) GRM5ADRB1ALDH1A1LMNAMAPT
SCHEMBL5119913 0.84 GRM5 (0.46) GRM5ALDH1A1LMNAMAPTALOX12
SCHEMBL5129624 0.83 GRM5 (0.45) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL5127910 0.83 GRM5 (0.43) GRM5CYP1A2CYP3A4CYP2D6HTT

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 GRM5 1/4885HTR1A 250/4885HTR2A 390/4885

“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.