SCHEMBL6011563

SCHEMBL6011563

CN(C)C(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
PANK3 Q9H999 1/20 0.39
LMNA P02545 3/20 0.38
HTR2C P28335 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6011709 0.90 CYP3A4 (0.43) PANK3LMNATSHRMAPK1RECQL
SCHEMBL6011681 0.90 SMN1; SMN2 (0.43) LMNASMN1; SMN2MAPK1NPSR1HTT
SCHEMBL7123726 0.89 TP53 (0.42) LMNATSHRSMN1; SMN2MAPK1RECQL
SCHEMBL7127512 0.89 TP53 (0.39) PANK3LMNATSHRSMN1; SMN2MAPK1
SCHEMBL6011475 0.88 LMNA (0.44) PANK3LMNATSHRSMN1; SMN2MAPK1
SCHEMBL6011378 0.88 SMN1; SMN2 (0.42) PANK3LMNATSHRSMN1; SMN2MAPK1
SCHEMBL6011624 0.87 CACNA1G (0.42) SMN1; SMN2
SCHEMBL6011760 0.86 KMT2A (0.42) PANK3LMNASMN1; SMN2
SCHEMBL6011783 0.86 HTT (0.44) SMN1; SMN2NPSR1HTTTP53
SCHEMBL6011554 0.85 MAPT (0.43) PANK3LMNATSHRSMN1; SMN2MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 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-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A HRH3 1453/4885PANK3 4729/4885LMNA 3203/4885

“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.