SCHEMBL13198513

SCHEMBL13198513

CC1c2ccccc2CCC1Br

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
PDPK1 O15530 1/20 0.48
IDO1 P14902 2/20 0.44
CYP11B2 P19099 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL1261931 0.79 DRD2 (0.53) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL18408553 0.79 DRD2 (0.53) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL9183567 0.79 CYP11B2 (0.53) PDPK1IDO1CYP11B2HTR2AMAOA
SCHEMBL13198472 0.79 OPRM1 (0.46) DRD2
SCHEMBL14555196 0.78 HTR2A (0.52) DRD2PDPK1IDO1HTR2AHTR2C
SCHEMBL14367929 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL19419825 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL21499446 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
SCHEMBL14169776 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A
Methyl Alcohol SCHEMBL14815562 0.76 DRD2 (0.50) DRD2PDPK1IDO1CYP11B2HTR2A

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
EP-2185526-B1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-10-05 EP disclosed
US-8334390-B2 Fungicide N-cycloalkyl-N-bicyclic-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-12-18 US disclosed
US-20100197925-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES Bater SAS (FR) 2010-08-05 US disclosed
WO-2009016218-A2 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-02-05 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-20100197925-A1 FUNGICIDE N-CYCLOALKYL-N-BICYCLIC-CARBOXAMIDE DERIVATIVES CBR3, CBR1, CYP3A7 DRD2 1349/4885PDPK1 3782/4885IDO1 531/4885

“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.