SCHEMBL4316964

SCHEMBL4316964

N#Cc1nccnc1N1CCN(C(=O)c2ccc(Cl)c(C#Cc3ccccn3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL4324392 0.90 KDM4E (0.52) ALDH1A1PARP1PARP2PARP3
SCHEMBL4419799 0.88 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4321993 0.87 HSD11B1 (0.49) ALDH1A1MEN1POLBKMT2APARP1
SCHEMBL4320840 0.87 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4314270 0.85 KDM4E (0.56) ALDH1A1LMNAMEN1KMT2ASLC6A7
SCHEMBL4319182 0.84 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL4324263 0.82 AKR1C3 (0.49) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL4319203 0.81 SLC6A7 (0.56) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL4328423 0.80 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL4333478 0.80 ALDH1A1 (0.46) ALDH1A1

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 ALDH1A1 3104/4885LMNA 4354/4885SMN1; SMN2 3956/4885

“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.