SCHEMBL4315549

SCHEMBL4315549

O=C(c1ccc(F)c(C#Cc2ccccn2)c1)N1CCN(c2ncc(Cl)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL4333478 0.91 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4428020 0.90 KIT (0.47) ALDH1A1LMNASMN1; SMN2MEN1POLB
SCHEMBL4325183 0.90 HSD11B1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1POLB
SCHEMBL4319443 0.88 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4321247 0.86 ALOX15 (0.46) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4326491 0.86 MEN1 (0.59) ALDH1A1MEN1POLBKMT2A
SCHEMBL4317911 0.85 L3MBTL1 (0.57) ALDH1A1
SCHEMBL4419799 0.82 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4320933 0.80 SORD (0.41) ALDH1A1MEN1POLBKMT2A
SCHEMBL4319182 0.80 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2MEN1POLB

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 3 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
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 3104/4885LMNA 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.