SCHEMBL4419690

SCHEMBL4419690

Cc1cc(C)nc(N2CCN(C(=O)c3cccc(C#Cc4ccccn4)c3)CC2)n1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
GBA1 P04062 2/20 0.52
TACR2 P21452 2/20 0.51
TACR1 P25103 2/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL4424605 0.88 GBA1 (0.61) KDM4EGBA1
SCHEMBL4422024 0.87 HPGD (0.58) KDM4EHPGD
SCHEMBL4419710 0.87 GBA1 (0.54) KDM4EGBA1
SCHEMBL4426574 0.86 TACR2 (0.50) TACR2TACR1HPGD
SCHEMBL4419074 0.85 KDM4E (0.57) KDM4ETACR2TACR1HPGD
SCHEMBL4415286 0.84 ALDH1A1 (0.65) HPGD
SCHEMBL4319888 0.84 ALDH1A1 (0.49) GBA1HPGD
SCHEMBL4417374 0.83 SLC6A7 (0.57) KDM4ETACR2TACR1
SCHEMBL4424602 0.80 TACR2 (0.52) TACR2TACR1
SCHEMBL4425017 0.80 SLC6A7 (0.56) HPGD

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 KDM4E 1411/4885GBA1 1803/4885TACR2 1032/4885

“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.