SCHEMBL6792504

SCHEMBL6792504

Clc1ccc(Cc2ccc(C3OCCO3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 2/20 0.37
LSS P48449 1/20 0.37
MEN1 O00255 1/20 0.37
IDO1 P14902 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DRD2 P14416 1/20 0.35
LTA4H P09960 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL6809631 0.88 MAPK1 (0.50) MAPK1CHRNA7KMT2AMEN1SLC6A2
SCHEMBL8993057 0.83 LTA4H (0.43) IDO1LTA4HTAAR1
SCHEMBL16388357 0.82 CALM1 (0.48) KMT2AMEN1LTA4H
SCHEMBL2633867 0.79 MAPK1 (0.47) MAPK1CHRNA7KMT2AMEN1SLC6A2
SCHEMBL7473813 0.78 CCNB2 (0.35) MAPK1KMT2AMEN1
SCHEMBL6792498 0.77 MAPK1 (0.42) MAPK1CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL9778597 0.77 MAOB (0.51) DRD2LTA4HHTR2A
SCHEMBL9451016 0.76 MEN1 (0.44) MAPK1KMT2AMEN1
SCHEMBL3560743 0.74 MAPK1 (0.51) MAPK1
SCHEMBL3297545 0.74 MAPK1 (0.44) MAPK1CHRNA7KMT2AMEN1IDO1

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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C MAPK1 3412/4885CHRNA7 1735/4885KMT2A 3986/4885

“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.