SCHEMBL4322008

SCHEMBL4322008

COc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1C#Cc1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL4419280 0.91 ALDH1A1 (0.54) ALDH1A1
SCHEMBL4318240 0.91 SMN1; SMN2 (0.50) ALDH1A1HTTSMN1; SMN2
SCHEMBL4324254 0.91 ALOX15 (0.54) ALDH1A1ALOX15
SCHEMBL4321042 0.90 HPGD (0.51) ALDH1A1
SCHEMBL4319452 0.90 ALDH1A1 (0.48) ALDH1A1CDK5CDK5R1ALOX15
SCHEMBL4323203 0.90 TSHR (0.55) ALDH1A1HTTSMN1; SMN2ALOX15
SCHEMBL4320602 0.89 LMNA (0.58) HTTSMN1; SMN2ALOX15
SCHEMBL4317237 0.87 F10 (0.51) ALDH1A1CDK5CDK5R1ALOX15
SCHEMBL4324013 0.87 ALDH1A1 (0.48) ALDH1A1CDK5CDK5R1
SCHEMBL4317070 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2

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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US claimed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO claimed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 ALDH1A1 3104/4885HTT 1727/4885SMN1; SMN2 3956/4885

“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.