SCHEMBL4426574

SCHEMBL4426574

Cc1cnc(C)c(N2CCN(C(=O)c3cccc(C#Cc4ccccn4)c3)CC2)n1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.50
TACR1 P25103 2/20 0.50
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4419690 0.86 KDM4E (0.53) TACR2TACR1HPGD
SCHEMBL4422024 0.85 HPGD (0.58) HPGDKMT2A
SCHEMBL4424602 0.83 TACR2 (0.52) TACR2TACR1
SCHEMBL4415286 0.83 ALDH1A1 (0.65) HPGDKMT2A
SCHEMBL4419074 0.81 KDM4E (0.57) TACR2TACR1HPGD
SCHEMBL4425017 0.80 SLC6A7 (0.56) HPGD
SCHEMBL4552360 0.80 HSD11B1 (0.67) TACR2TACR1
SCHEMBL4422939 0.80 TACR2 (0.47) TACR2TACR1HPGD
SCHEMBL4419650 0.79 ALDH1A1 (0.53) TACR2TACR1
SCHEMBL4429394 0.78 ALDH1A1 (0.55) TACR2TACR1HPGDKMT2A

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 TACR2 1032/4885TACR1 1060/4885HPGD 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.