SCHEMBL29649258

SCHEMBL29649258

OC1CCCn2cncc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CHRNA7 P36544 2/20 0.30
CHRNB2 P17787 2/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA4 P43681 2/20 0.30
CHRNA2 Q15822 2/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
PSIP1 O75475 1/20 0.30
TRPA1 O75762 1/20 0.30
HTR3B O95264 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
MAPT P10636 1/20 0.30
CHRNB1 P11230 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
SCHEMBL23729877 0.88
SCHEMBL25432924 0.81 CYP17A1 (0.34) CYP17A1CYP11B1CYP11B2
SCHEMBL24377497 0.78 CHRNB4 (0.33) CYP17A1ALDH1A1CHRNA7CHRNB2CHRNB4
SCHEMBL27283099 0.78 CHRNB4 (0.33) CYP17A1ALDH1A1CHRNA7CHRNB2CHRNB4
SCHEMBL12256568 0.77 CYP11B2 (0.35) CYP17A1CYP11B2ALDH1A1CHRNA7CHRNB2
SCHEMBL12050217 0.77 CYP11B2 (0.35) CYP17A1CYP11B2ALDH1A1CHRNA7CHRNB2
SCHEMBL19043898 0.75 CYP17A1 (0.32) CYP17A1
SCHEMBL27285101 0.72 CYP17A1 (0.42) CYP17A1CYP11B1CYP11B2ALDH1A1
SCHEMBL27285097 0.72 CYP17A1 (0.42) CYP17A1CYP11B1CYP11B2ALDH1A1
SCHEMBL27285997 0.72 CYP17A1 (0.42) CYP17A1CYP11B1CYP11B2ALDH1A1

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
US-12583858-B2 TDO2 inhibitors GENENTECH, INC. (US) 2026-03-24 US disclosed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN 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 (2 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-12583858-B2 TDO2 inhibitors TDO2, IDO2, TPH2 CYP17A1 598/4885CYP11B1 419/4885CYP11B2 210/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 CYP17A1 879/4885CYP11B1 1087/4885CYP11B2 640/4885

“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.