SCHEMBL13198516

SCHEMBL13198516

CC1CCCc2ccc(-c3cccnc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.60
CYP11B2 P19099 14/20 0.60
CYP1A2 P05177 11/20 0.51
CYP2C9 P11712 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM1A O60341 1/20 0.46
CYP17A1 P05093 2/20 0.43
CYP19A1 P11511 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
TBXAS1 P24557 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
GRIA2 P42262 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL5440354 0.81 HTR2A (0.52) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL5443298 0.81 HTR2A (0.52) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL5437716 0.80 HTR2A (0.51) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL1009580 0.80 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL6404916 0.79 DRD2 (0.61) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL29228190 0.78 CYP11B2 (0.50) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL24700979 0.77 CYP11B2 (0.64) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL24700865 0.77 CYP11B2 (0.64) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL23363268 0.76 ALDH1A1 (0.54) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL8023501 0.76 CYP11B2 (0.50) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4

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-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

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 CYP11B1 906/4885CYP11B2 1028/4885CYP1A2 21/4885

“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.