SCHEMBL5378100

SCHEMBL5378100

Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(n3cc(-c4ccc(-c5ccccc5)cc4)[nH]c3=O)CC2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.52
CALCRL Q16602 16/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
RAMP1 O60894 2/20 0.44
CCR5 P51681 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5365917 0.98 TNKS (0.53) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5375100 0.91 KMT2A (0.45) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5378557 0.91 TNKS (0.44) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5374180 0.91 TNKS (0.46) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5374639 0.90 TNKS (0.52) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5365963 0.89 CTSS (0.47) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5371693 0.88 TNKS (0.41) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5376461 0.87 TNKS (0.43) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5371559 0.86 TNKS (0.51) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5378040 0.86 TNKS (0.41) TNKSCALCRLDRD2DRD4DRD3

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 2480/4885CALCRL 4/4885DRD2 551/4885

“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.