SCHEMBL4419706

SCHEMBL4419706

Cc1ccc(C(=O)N2CCNCC2)cc1C#Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.52
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL4415270 0.86 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4317080 0.86 KDM4E (0.56) ALDH1A1LMNAKDM4EL3MBTL1HPGD
Hydrochloric Acid SCHEMBL4331030 0.85 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4415954 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EHPGD
SCHEMBL3413244 0.84 KIT (0.55) KIT
SCHEMBL3410527 0.83 GRM5 (0.59) KITALDH1A1LMNAKDM4EHPGD
SCHEMBL4324240 0.81 KIT (0.49) KITALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL3413404 0.81 NAMPT (0.47) KITALDH1A1LMNAKDM4E
SCHEMBL4417361 0.81 SLC6A7 (0.56) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4426054 0.81 TACR2 (0.57) SIGMAR1

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 KIT 4444/4885SIGMAR1 413/4885ALDH1A1 3104/4885

“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.