SCHEMBL5378557

SCHEMBL5378557

Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(n3cc(-c4cc(Br)c(N)c(Br)c4)[nH]c3=O)CC2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
CALCRL Q16602 7/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
RAMP1 O60894 2/20 0.37
HRH3 Q9Y5N1 6/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5365917 0.93 TNKS (0.53) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5375100 0.91 KMT2A (0.45) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5378100 0.91 TNKS (0.52) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5371693 0.89 TNKS (0.41) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5378040 0.89 TNKS (0.41) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5374180 0.89 TNKS (0.46) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5365963 0.89 CTSS (0.47) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5376461 0.86 TNKS (0.43) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5371401 0.84 TNKS (0.41) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5374639 0.83 TNKS (0.52) TNKSSMN1; SMN2CALCRLDRD2DRD4

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 2 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

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 TNKS 2480/4885SMN1; SMN2 3515/4885CALCRL 4/4885

“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.