SCHEMBL5365963

SCHEMBL5365963

Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(n3cc(-c4ccc(C(F)(F)F)cc4)[nH]c3=O)CC2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
TNKS O95271 1/20 0.43
HRH3 Q9Y5N1 2/20 0.40
CALCRL Q16602 11/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RAMP1 O60894 2/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL5376461 0.91 TNKS (0.43) CTSSTNKSCALCRLDRD2DRD4
SCHEMBL5375100 0.91 KMT2A (0.45) CTSSTNKSHRH3CALCRLDRD2
SCHEMBL5378100 0.89 TNKS (0.52) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5365917 0.89 TNKS (0.53) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5378557 0.89 TNKS (0.44) TNKSHRH3CALCRLDRD2DRD4
SCHEMBL5371693 0.86 TNKS (0.41) TNKSHRH3CALCRLDRD2DRD4
SCHEMBL5374180 0.85 TNKS (0.46) CTSSTNKSCALCRLDRD2DRD4
SCHEMBL5378040 0.84 TNKS (0.41) TNKSHRH3CALCRLDRD2DRD4
SCHEMBL5374639 0.80 TNKS (0.52) TNKSHRH3CALCRLDRD2DRD4
SCHEMBL5371401 0.79 TNKS (0.41) TNKSHRH3CALCRLDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
EP-1228060-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-08-07 EP disclosed
WO-2001032649-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-10 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CTSS 558/4885TNKS 2480/4885HRH3 206/4885

“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.