SCHEMBL4317080

SCHEMBL4317080

Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1C#Cc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
SLC6A7 Q99884 6/20 0.55
HTT P42858 1/20 0.54
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4415954 0.91 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGD
SCHEMBL4315496 0.89 ALDH1A1 (0.48) KDM4ESLC6A7HTTALDH1A1HPGD
SCHEMBL4317911 0.87 L3MBTL1 (0.57) KDM4ESLC6A7ALDH1A1TSHRL3MBTL1
SCHEMBL4314270 0.87 KDM4E (0.56) KDM4ESLC6A7ALDH1A1TSHRLMNA
SCHEMBL4324183 0.87 ALDH1A1 (0.56) KDM4ESLC6A7ALDH1A1HPGD
SCHEMBL4324240 0.86 KIT (0.49) KDM4EALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL4417361 0.86 SLC6A7 (0.56) KDM4ESLC6A7ALDH1A1LMNAHPGD
SCHEMBL4419706 0.86 KIT (0.52) KDM4EALDH1A1LMNAL3MBTL1HPGD
SCHEMBL4326377 0.85 SLC6A7 (0.58) KDM4ESLC6A7ALDH1A1TSHRLMNA
SCHEMBL4428020 0.84 KIT (0.47) KDM4EHTTALDH1A1TSHRLMNA

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 2 patents. 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 claimed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO claimed

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 1411/4885SLC6A7 234/4885HTT 1727/4885

“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.