SCHEMBL4325183

SCHEMBL4325183

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
SLC6A7 Q99884 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4417063 0.91 HSD11B1 (0.53) HSD11B1PDK1PDK2PDK3PDK4
SCHEMBL4315549 0.90 ALDH1A1 (0.47) NAMPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4428020 0.87 KIT (0.47) ALDH1A1LMNASMN1; SMN2MEN1POLB
SCHEMBL4318039 0.86 MEN1 (0.56) ALDH1A1SLC6A7HSP90AA1HSP90AB1MEN1
SCHEMBL4319443 0.85 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2
SCHEMBL4326377 0.85 SLC6A7 (0.58) HSD11B1ALDH1A1SLC6A7LMNASMN1; SMN2
SCHEMBL4321247 0.83 ALOX15 (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL4321993 0.82 HSD11B1 (0.49) HSD11B1ALDH1A1SLC6A7HSP90AA1HSP90AB1
SCHEMBL4324274 0.82 SLC6A7 (0.53) NAMPTALDH1A1SLC6A7HSP90AA1HSP90AB1
SCHEMBL4329628 0.81 NAMPT (0.52) NAMPTALDH1A1SMN1; SMN2MEN1KMT2A

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 HSD11B1 3183/4885NAMPT 3332/4885ALDH1A1 3104/4885

“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.