SCHEMBL4415437

SCHEMBL4415437

O=C(c1cncc(C#Cc2ccccc2)c1)N1CCN(c2cnccn2)CC1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.64
NAMPT P43490 1/20 0.52
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRM5 P41594 1/20 0.48

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
SCHEMBL4312385 0.90 MAPK1 (0.62) SLC6A7TP53MAPTTSHRMAPK1
SCHEMBL4417155 0.90 SLC6A7 (0.65) SLC6A7NAMPT
SCHEMBL4314125 0.86 KDM4E (0.52) GRM5
SCHEMBL4319854 0.86 SLC6A7 (0.62) SLC6A7NAMPTTP53MAPTTSHR
SCHEMBL4318289 0.85 KDM4E (0.57) SLC6A7TSHR
SCHEMBL4326371 0.83 SMN1; SMN2 (0.50) NAMPTMAPTTSHRMAPK1GRM5
SCHEMBL4415931 0.83 SLC6A7 (0.61) SLC6A7NAMPT
SCHEMBL11080932 0.82 SLC6A7 (0.85) SLC6A7NAMPTMAPK1
SCHEMBL4319285 0.82 TIPARP (0.48) TP53MAPTTSHRMAPK1NPSR1
SCHEMBL4425017 0.81 SLC6A7 (0.56) SLC6A7

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
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 SLC6A7 234/4885NAMPT 3332/4885TP53 4834/4885

“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.