SCHEMBL13601310

SCHEMBL13601310

O=C(c1ccc(OC(F)F)c(-c2ccccn2)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 4/20 0.54
RECQL P46063 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A7 Q99884 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53

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
SCHEMBL13601210 0.86 HPGD (0.59) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13601341 0.85 HPGD (0.60) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13601352 0.82 MEN1 (0.55) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13601231 0.81 ALDH1A1 (0.69) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL4315437 0.81 MEN1 (0.53) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13117491 0.79 NAMPT (0.42) KDM4ERECQL
SCHEMBL13117453 0.78 KDM4C (0.51) POLBKDM4E
SCHEMBL13601358 0.77 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ERECQLSLC6A7
SCHEMBL22658058 0.77 BRD4 (0.53)
SCHEMBL29408185 0.77 BRD4 (0.53)

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 887/4885POLB 3496/4885

“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.