SCHEMBL17728484

SCHEMBL17728484

O=C1C=C(n2ccnn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.37
CYP17A1 P05093 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAP3K5 Q99683 1/20 0.33
KEAP1 Q14145 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRNB2 P17787 1/20 0.32
CYP2B6 P20813 1/20 0.32
MAOA P21397 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
SRD5A1 P18405 1/20 0.31

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
SCHEMBL27793766 0.71
SCHEMBL17728586 0.67 MAPT (0.39) ALDH1A1MAPTSRD5A1
SCHEMBL17728540 0.63 NOTUM (0.35) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL17728629 0.63 NOTUM (0.35) NOTUMCYP17A1KEAP1CYP1A2CYP2C9
SCHEMBL3148924 0.63 NOTUM (0.34) NOTUMMAP3K5KEAP1
SCHEMBL28780246 0.63 NOTUM (0.41) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL24240280 0.61 NOTUM (0.48) NOTUMMAP3K5KEAP1CYP1A2CYP2C9
SCHEMBL10447781 0.60 NOTUM (0.78) NOTUMKEAP1
SCHEMBL6129230 0.60 ALDH1A1 (0.68) ALDH1A1MAPTSRD5A1
SCHEMBL3148920 0.59 NOTUM (0.34) NOTUMCYP17A1MAP3K5KEAP1

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 1/4885ALDH1A1 112/4885

“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.