SCHEMBL4425549

SCHEMBL4425549

O=C(c1cccc(C#Cc2ccc(Cl)cc2)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
HPGD P15428 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.59
TSHR P16473 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.58
POLB P06746 1/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL4321986 0.92 MEN1 (0.69) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL4429452 0.89 HPGD (0.72) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL4415286 0.87 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL4422976 0.87 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL4415299 0.87 MEN1 (0.62) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4428085 0.85 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL3635283 0.84 MAPK1 (0.74) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL4429497 0.83 HPGD (0.66) ALDH1A1HPGDMEN1KMT2A
SCHEMBL4423138 0.83 MEN1 (0.67) ALDH1A1HPGDMEN1KMT2A
SCHEMBL4321235 0.83 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2APOLB

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 ALDH1A1 3104/4885HPGD 2657/4885MEN1 4398/4885

“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.