SCHEMBL13198517

SCHEMBL13198517

CC1CCCc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.53
MAOB P27338 6/20 0.53
HRH3 Q9Y5N1 8/20 0.52
CYP2D6 P10635 3/20 0.52
KDM1A O60341 4/20 0.50
HRH1 P35367 1/20 0.49
ALOX5 P09917 1/20 0.45

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
SCHEMBL5442266 0.82 HTR2C (0.65) MAOAMAOBHRH3HRH1
SCHEMBL5442260 0.82 HTR2C (0.65) MAOAMAOBHRH3HRH1
SCHEMBL5442264 0.82 HTR2C (0.65) MAOAMAOBHRH3HRH1
SCHEMBL1843521 0.81 FABP4 (0.53) MAOAMAOBHRH3CYP2D6KDM1A
SCHEMBL9491587 0.81 TAOK1 (0.53) MAOAMAOBHRH3CYP2D6KDM1A
SCHEMBL28005936 0.81 MAOA (0.53) MAOAMAOBHRH3CYP2D6KDM1A
SCHEMBL19978163 0.80 HRH3 (0.48) MAOAMAOBHRH3KDM1A
SCHEMBL23537862 0.80 HRH3 (0.51) MAOAMAOBHRH3CYP2D6KDM1A
SCHEMBL30014783 0.80 HRH3 (0.51) MAOAMAOBHRH3CYP2D6KDM1A
SCHEMBL31318439 0.78 ACHE (0.57) MAOAMAOBHRH3KDM1A

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 MAOA 354/4885MAOB 1045/4885HRH3 1363/4885

“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.