SCHEMBL22053384

SCHEMBL22053384

COC(=O)[C@H]1CCN([C@H](C)c2ccccc2)[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.48
CYP3A4 P08684 6/20 0.48
TSHR P16473 6/20 0.48
CYP2D6 P10635 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
AR P10275 1/20 0.45
CYP2C19 P33261 5/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP2C9 P11712 7/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28380939 1.00 CYP1A2 (0.48) CYP1A2CYP3A4TSHRCYP2D6HSD17B10
SCHEMBL16671440 1.00 CYP1A2 (0.48) CYP1A2CYP3A4TSHRCYP2D6HSD17B10
SCHEMBL3614301 1.00 CYP1A2 (0.48) CYP1A2CYP3A4TSHRCYP2D6HSD17B10
SCHEMBL28376808 1.00 CYP1A2 (0.48) CYP1A2CYP3A4TSHRCYP2D6HSD17B10
SCHEMBL21338822 1.00 CYP1A2 (0.48) CYP1A2CYP3A4TSHRCYP2D6HSD17B10
SCHEMBL21338814 1.00 CYP1A2 (0.48) CYP1A2CYP3A4TSHRCYP2D6HSD17B10
SCHEMBL20594755 0.86 KMT2A (0.43) CYP2D6ALDH1A1KMT2A
SCHEMBL20594448 0.86 KMT2A (0.43) CYP2D6ALDH1A1KMT2A
SCHEMBL3595828 0.86 KMT2A (0.43) CYP2D6ALDH1A1KMT2A
SCHEMBL20594447 0.86 KMT2A (0.43) CYP2D6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831936-B Substituted cyanopyrrolidines with DUB inhibitor activity 特殊治疗有限公司 2023-03-28 CN disclosed
EP-3642196-B1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS DUB INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-08-17 EP disclosed
US-11059809-B2 Substituted cyanopyrrolidines with activity as DUB inhibitors MISSION THERAPEUTICS LIMITED (GB) 2021-07-13 US disclosed
US-20210002262-A1 CYANOPYRROLIDINES AS USP30 INHIBITORS AND FIBROSIS TREATMENT MISSION THERAPEUTICS LIMITED (GB) 2021-01-07 US disclosed
US-20200172519-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-06-04 US disclosed
CN-110831936-A Substituted cyanopyrrolidines with DUB inhibitor activity 特殊治疗有限公司 2020-02-21 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 (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-20210002262-A1 CYANOPYRROLIDINES AS USP30 INHIBITORS AND FIBROSIS TREATMENT USP30, USP39, USP36 CYP1A2 1498/4885CYP3A4 2054/4885TSHR 4455/4885
US-20200172519-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS DUB INHIBITORS USP30, USP39, USP1 CYP1A2 2173/4885CYP3A4 2278/4885TSHR 4490/4885
US-11059809-B2 Substituted cyanopyrrolidines with activity as DUB inhibitors USP30, USP1, USP47 CYP1A2 1734/4885CYP3A4 2013/4885TSHR 4456/4885

“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.