SCHEMBL4415299

SCHEMBL4415299

COc1ccc(C#Cc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HPGD P15428 2/20 0.62
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
ALDH1A1 P00352 2/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL4423138 0.93 MEN1 (0.67) MEN1KMT2AHPGDCDK5CDK5R1
SCHEMBL4321986 0.90 MEN1 (0.69) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL4429452 0.89 HPGD (0.72) MEN1KMT2AHPGDALDH1A1
SCHEMBL4425549 0.87 ALDH1A1 (0.72) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL26295470 0.85 MEN1 (0.80) MEN1KMT2AHPGDCDK5CDK5R1
SCHEMBL4422976 0.84 ALDH1A1 (0.65) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL4415286 0.84 ALDH1A1 (0.65) MEN1KMT2AHPGDALDH1A1
SCHEMBL4324105 0.84 ALDH1A1 (0.60) ALDH1A1
SCHEMBL4426358 0.83 ALDH1A1 (0.64) CDK5CDK5R1ALDH1A1
SCHEMBL4413953 0.83

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-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 MEN1 4398/4885KMT2A 887/4885HPGD 2657/4885

“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.