SCHEMBL4312356

SCHEMBL4312356

COc1ccc(C(=O)N2CCN(c3ncc(C#N)c(N)n3)CC2)cc1C#Cc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4418572 0.90 ALDH1A1 (0.44) ALDH1A1HPGDCDK5CDK5R1
SCHEMBL4324183 0.85 ALDH1A1 (0.56) ALDH1A1HPGDCDK5CDK5R1KDM4E
SCHEMBL4324013 0.84 ALDH1A1 (0.48) ALDH1A1HPGDCDK5CDK5R1KDM4E
SCHEMBL4419775 0.84 ALDH1A1 (0.48) ALDH1A1HPGDCDK5CDK5R1KDM4E
SCHEMBL4321257 0.84 LRRK2 (0.45) ALDH1A1HPGDCDK5CDK5R1
SCHEMBL4321312 0.83 ALDH1A1 (0.48) ALDH1A1HPGDCDK5CDK5R1KDM4E
SCHEMBL4312303 0.83 ALDH1A1 (0.49) ALDH1A1HPGDCDK5CDK5R1
SCHEMBL4319888 0.83 ALDH1A1 (0.49) ALDH1A1HPGDCDK5CDK5R1
SCHEMBL4324107 0.81 ALDH1A1 (0.51) ALDH1A1CDK5CDK5R1
SCHEMBL4324254 0.81 ALOX15 (0.54) ALDH1A1KDM4E

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 7 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
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO disclosed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 ALDH1A1 3104/4885HPGD 2657/4885CDK5 288/4885

“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.