SCHEMBL17728629

SCHEMBL17728629

OC1C=C(n2ccnn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.35
CYP17A1 P05093 3/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KEAP1 Q14145 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CHRNB2 P17787 1/20 0.30
CYP2B6 P20813 1/20 0.30
MAOA P21397 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR3A P46098 1/20 0.30

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
SCHEMBL17728540 0.79 NOTUM (0.35) NOTUMCYP11B1CYP11B2KEAP1CYP1A2
SCHEMBL17728673 0.73 CYP17A1 (0.36) NOTUMCYP17A1
SCHEMBL17728498 0.71 NOTUM (0.30) NOTUM
SCHEMBL16323812 0.69
SCHEMBL27793766 0.69
SCHEMBL16323865 0.68 CYP11B2 (0.41) NOTUMCYP11B1CYP11B2
SCHEMBL16321631 0.66 NOTUM (0.33) NOTUMCYP17A1KEAP1
SCHEMBL16322233 0.66 TSHR (0.37) CYP1A2CYP2C19
SCHEMBL17728484 0.63 NOTUM (0.37) NOTUMCYP17A1KEAP1CYP1A2CYP2C9
SCHEMBL28780246 0.60 NOTUM (0.41) NOTUMKEAP1CYP1A2CYP2C9CHRNB2

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-9890139-B2 CYP17 inhibitors/antiandrogens ORION CORPORATION (FI) 2018-02-13 US disclosed
US-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS ORION CORPORATION (FI) 2016-05-12 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-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS CYP17A1, CYP19A1, CYP21A2 NOTUM 299/4885CYP17A1 1/4885CYP11B1 6/4885

“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.