Sugi Predict

Sugi Predict / Compounds / SCHEMBL19652202

SCHEMBL19652202

SCHEMBL19652202

CC(C)C(=O)N1CCC2(CC1)COC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2D6 P10635 3/20 0.40
▸ VNN1 O95497 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CHRNB3 Q05901 1/20 0.37
▸ CHRNA6 Q15825 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SPR P35270 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL21212122 0.91 SPR (0.43) CYP1A2CYP2C9CYP2D6VNN1CHRNB2
SCHEMBL21028193 0.85 CYP1A2 (0.44) CYP1A2CYP2C9CYP2D6CHRNB2CHRNA3
SCHEMBL11998891 0.82 CHRNB2 (0.38) CYP1A2CYP2C9CYP2D6CHRNB2CHRNA3
SCHEMBL25480365 0.80 CYP1A2 (0.44) CYP1A2CYP2C9CYP2D6CHRNB2CHRNA3
SCHEMBL18711887 0.79 SMN1; SMN2 (0.50) CYP1A2CYP2C9CYP2D6ALDH1A1CYP2C19
SCHEMBL24918399 0.78 CYP2D6 (0.41) CYP1A2CYP2C9CYP2D6CHRNB2CHRNA3
SCHEMBL25090010 0.78 USP2 (0.44) CYP1A2CYP2C9CYP2D6VNN1CHRNB2
SCHEMBL21480188 0.78 VNN1 (0.46) VNN1HRH3
SCHEMBL19159469 0.78 CYP2C9 (0.41) CYP1A2CYP2C9CYP2D6CHRNB2CHRNA3
SCHEMBL23468394 0.77 CHRNB2 (0.39) CYP1A2CYP2C9CYP2D6CHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS SERVIER PHARMACEUTICALS LLC 2021-11-18 — — US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
WO-2019047915-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS BEIGENE, LTD. (KY) 2019-03-14 — — WO disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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 (3 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-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS MEN1, BRCA1, KRAS CYP1A2 4566/4885CYP2C9 4778/4885CYP2D6 4026/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 CYP1A2 3848/4885CYP2C9 4277/4885CYP2D6 3694/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CYP1A2 3848/4885CYP2C9 4277/4885CYP2D6 3694/4885

“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.