SCHEMBL4324274

SCHEMBL4324274

O=C(c1ccc(C(F)(F)F)c(C#Cc2ccccn2)c1)N1CCN(c2cnccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.53
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 2/20 0.47
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4318039 0.92 MEN1 (0.56) SLC6A7HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL4318794 0.87 SLC6A7 (0.51) SLC6A7MEN1KMT2APOLBNAMPT
SCHEMBL4326377 0.87 SLC6A7 (0.58) SLC6A7ALDH1A1LMNA
SCHEMBL4321925 0.87 LMNA (0.62) MEN1KMT2ANAMPTALDH1A1LMNA
SCHEMBL4324199 0.87 KDM4E (0.53) HSP90AA1HSP90AB1MEN1KMT2APOLB
SCHEMBL4417361 0.86 SLC6A7 (0.56) SLC6A7MEN1KMT2APOLBNAMPT
SCHEMBL4319203 0.86 SLC6A7 (0.56) SLC6A7MEN1KMT2APOLBNAMPT
SCHEMBL4326498 0.86 MEN1 (0.52) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL4422249 0.85 HPGD (0.50) HSP90AA1HSP90AB1MEN1KMT2APOLB
SCHEMBL4426562 0.84 ALDH1A1 (0.54) SLC6A7ALDH1A1

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 SLC6A7 234/4885HSP90AA1 3672/4885HSP90AB1 3834/4885

“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.