SCHEMBL4328352

SCHEMBL4328352

COc1ccc(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1C#Cc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
RBP4 P02753 3/20 0.53
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
TRPA1 O75762 1/20 0.46

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
SCHEMBL4324177 0.97 RBP4 (0.55) HSD11B1RBP4ALDH1A1GAANPSR1
SCHEMBL4318617 0.92 RBP4 (0.48) HSD11B1RBP4ALDH1A1
SCHEMBL4419148 0.88 SMN1; SMN2 (0.49) ALDH1A1GAA
SCHEMBL4321006 0.87 RBP4 (0.52) RBP4ALDH1A1
SCHEMBL4317416 0.85 HTT (0.48) ALDH1A1GAANPSR1
SCHEMBL4314255 0.85 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4315520 0.85 MEN1 (0.56) ALDH1A1GAANPSR1POLB
SCHEMBL4324183 0.85 ALDH1A1 (0.56) ALDH1A1
SCHEMBL4329628 0.85 NAMPT (0.52) ALDH1A1
SCHEMBL4552360 0.84 HSD11B1 (0.67) HSD11B1RBP4GAANPSR1TRPA1

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 3183/4885RBP4 1749/4885ALDH1A1 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.