SCHEMBL5129529

SCHEMBL5129529

O=C(c1cc2cc(O)ccc2[nH]1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.53
HRH3 Q9Y5N1 2/20 0.51
HRH1 P35367 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
GPR183 P32249 4/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL5124133 0.81 ENPP2 (0.46) KMT2AMEN1GPR183POLB
SCHEMBL5115603 0.81 MGLL (0.51) KMT2AMEN1POLB
SCHEMBL5129768 0.78 GRM5 (0.54)
SCHEMBL5125484 0.76 ENPP2 (0.45) KMT2AMEN1POLB
SCHEMBL5121839 0.76 MGLL (0.46) KMT2AMEN1POLB
SCHEMBL992293 0.75 SMYD3 (0.46)
SCHEMBL5122227 0.75 GRM5 (0.48) POLBRAB9A
SCHEMBL5123315 0.75 GRM5 (0.44)
SCHEMBL5125577 0.75 PKM (0.47) KMT2AMEN1
SCHEMBL5129080 0.74 MGLL (0.53) KMT2AMEN1POLBRAB9A

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 HRH4 101/4885HRH3 330/4885HRH1 167/4885

“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.