SCHEMBL4428020

SCHEMBL4428020

Cc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1C#Cc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL4315549 0.90 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MEN1POLB
SCHEMBL4324240 0.90 KIT (0.49) KITALDH1A1LMNAHPGDKDM4E
SCHEMBL4319443 0.89 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL4321247 0.87 ALOX15 (0.46) ALDH1A1LMNASMN1; SMN2TSHRHTT
SCHEMBL4325183 0.87 HSD11B1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1POLB
SCHEMBL4415954 0.85 ALDH1A1 (0.62) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL4317080 0.84 KDM4E (0.56) ALDH1A1LMNAHPGDKDM4ESMN1; SMN2
SCHEMBL4419799 0.81 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4417361 0.81 SLC6A7 (0.56) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL4333478 0.81 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 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 KIT 4444/4885ALDH1A1 3104/4885LMNA 4354/4885

“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.