SCHEMBL17811560

SCHEMBL17811560

COC(=O)C1CC2(CCOCC2)CN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL31656505 0.98 BACE1 (0.39) BACE1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL22490451 0.88 BACE1 (0.44) BACE1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL12773357 0.88 BACE1 (0.44) BACE1KMT2AKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29510787 0.86 BACE1 (0.43) BACE1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL24112563 0.85 BACE1 (0.43) BACE1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL19318720 0.85 BACE1 (0.43) BACE1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL25922433 0.83 BACE1 (0.42) BACE1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL23824307 0.83 BACE1 (0.42) BACE1KMT2AKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL30759300 0.83 BACE1 (0.42) BACE1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL1440620 0.83 TSHR (0.35) KMT2AKDM4EALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133174-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2023-07-13 WO disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 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 (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-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 BACE1 3366/4885KMT2A 4566/4885KDM4E 4538/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV BACE1 307/4885KMT2A 3383/4885KDM4E 3122/4885

“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.