SCHEMBL5375100

SCHEMBL5375100

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
TNKS O95271 1/20 0.44
CALCRL Q16602 6/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
CACNA1B Q00975 2/20 0.38
RAMP1 O60894 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CTSS P25774 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5378100 0.91 TNKS (0.52) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5365917 0.91 TNKS (0.53) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5378557 0.91 TNKS (0.44) KMT2ATNKSCALCRLDRD2DRD4
SCHEMBL5365963 0.91 CTSS (0.47) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5371693 0.88 TNKS (0.41) KMT2ATNKSCALCRLDRD2DRD4
SCHEMBL5374180 0.87 TNKS (0.46) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5378040 0.86 TNKS (0.41) KMT2ATNKSCALCRLDRD2DRD4
SCHEMBL5376461 0.85 TNKS (0.43) TNKSCALCRLDRD2DRD4DRD3
SCHEMBL5371401 0.83 TNKS (0.41) KMT2ATNKSCALCRLDRD2DRD4
SCHEMBL5374639 0.82 TNKS (0.52) KMT2ATNKSCALCRLDRD2DRD4

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 KMT2A 4461/4885TNKS 2480/4885CALCRL 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.