SCHEMBL22503539

SCHEMBL22503539

CC(C)C(C)CNC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MCHR1 Q99705 2/20 0.31
ADRB2 P07550 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
SCHEMBL13995771 0.95 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL13995859 0.95 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL20324133 0.93 KDM4E (0.56) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL11058231 0.93 KDM4E (0.56) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL13995774 0.93 KDM4E (0.56) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL21799566 0.82 KDM1A (0.33) KDM4EANPEPERAP2
SCHEMBL6986244 0.82
SCHEMBL21799480 0.80 SMYD3 (0.38) KDM4EANPEPERAP2MCHR1
SCHEMBL22084809 0.77 KDM4E (0.37) KDM4ESMN1; SMN2CYP1A2CYP2D6ALDH1A1
SCHEMBL28831952 0.77 KDM4E (0.48) KDM4EANPEPERAP2HTTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10792292-B2 Abiraterone prodrugs PROPELLA THERAPEUTICS, INC. (US) 2020-10-06 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-10792292-B2 Abiraterone prodrugs CYP21A2, SHBG, CYP17A1 KDM4E 4285/4885ANPEP 502/4885ERAP2 1210/4885

“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.