SCHEMBL5366246

SCHEMBL5366246

Nc1c(Br)cc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1Br

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 20/20 0.76
PLD1 Q13393 16/20 0.75

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
SCHEMBL5377748 0.88 PLD2 (0.58) PLD2PLD1
SCHEMBL11718350 0.86 PLD2 (1.00) PLD2PLD1
SCHEMBL14845983 0.86 PLD2 (1.00) PLD2PLD1
SCHEMBL5368026 0.85 PLD2 (0.55) PLD2PLD1
SCHEMBL11712864 0.85 PLD2 (0.75) PLD2PLD1
SCHEMBL5369487 0.84 CHRM1 (0.70) PLD2PLD1
Hydrochloric Acid SCHEMBL5366218 0.84 CHRM1 (0.69) PLD2PLD1
SCHEMBL31060758 0.83 PLD2 (1.00) PLD2PLD1
SCHEMBL2724877 0.83 PLD2 (1.00) PLD2PLD1
SCHEMBL5366232 0.83 PLD2 (0.72) PLD2PLD1

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 PLD2 2346/4885PLD1 2412/4885

“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.