SCHEMBL4315340

SCHEMBL4315340

COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1/C=C/c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CDK5 Q00535 1/20 0.63
CDK5R1 Q15078 1/20 0.63
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
CYP1A2 P05177 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.55
SLC6A7 Q99884 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL4315345 1.00 ALDH1A1 (0.64) ALDH1A1CDK5CDK5R1KDM4EHSD17B10
SCHEMBL4312135 0.81 ALDH1A1 (0.71) ALDH1A1CDK5CDK5R1KDM4EHSD17B10
SCHEMBL4426358 0.80 ALDH1A1 (0.64) ALDH1A1CDK5CDK5R1
SCHEMBL4415967 0.79 CDK5 (0.67) ALDH1A1CDK5CDK5R1KDM4EHSD17B10
SCHEMBL4426557 0.77 ALDH1A1 (0.62) ALDH1A1CDK5CDK5R1
SCHEMBL4320875 0.77 ALDH1A1 (0.64) ALDH1A1CDK5CDK5R1KDM4EHSD17B10
SCHEMBL4423901 0.76 ALDH1A1 (0.61) ALDH1A1CDK5CDK5R1KDM4EHSD17B10
SCHEMBL4423747 0.76 ALDH1A1 (0.61) ALDH1A1CDK5CDK5R1
SCHEMBL8006737 0.76 ALDH1A1 (0.63) ALDH1A1CDK5CDK5R1KDM4EHSD17B10
SCHEMBL26295470 0.76 MEN1 (0.80) ALDH1A1CDK5CDK5R1KDM4EHSD17B10

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 5 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 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 3104/4885CDK5 288/4885CDK5R1 261/4885

“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.