SCHEMBL3542501

SCHEMBL3542501

COC(=O)C1C[C@H](O)CN1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
DPP4 P27487 4/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
SMYD3 Q9H7B4 1/20 0.38
KMT2A Q03164 1/20 0.35
CHEK2 O96017 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL1439294 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL699327 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3547377 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL729546 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3534892 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1303905 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL788022 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL589711 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL833267 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3862327 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 US disclosed
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 US disclosed
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2021-06-24 US disclosed
US-10772962-B2 Compounds and methods for the targeted degradation of bromodomain-containing proteins ARVINAS OPERATIONS, INC. (US) 2020-09-15 US disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 US disclosed
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 US disclosed
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 US disclosed
WO-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 WO disclosed
EP-2707371-B1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
EP-2707371-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-03-19 EP disclosed
US-8497288-B2 Hexahydropyrroloimidazolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-07-30 US disclosed
WO-2012152663-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-15 WO disclosed
US-20120289549-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-15 US disclosed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-0053902-A1 Phosphinylalkanoyl substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-16 EP 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 (8 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-20120289549-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS LIPC, PNLIP, LIPE CHRNB2 4290/4885CHRNA4 3709/4885CHRNB4 4005/4885
US-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN CHRNB2 1780/4885CHRNA4 3183/4885CHRNB4 2381/4885
US-10772962-B2 Compounds and methods for the targeted degradation of bromodomain-containing proteins BRPF3, STUB1, BRDT CHRNB2 3786/4885CHRNA4 4456/4885CHRNB4 4022/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 CHRNB2 2017/4885CHRNA4 3516/4885CHRNB4 2913/4885
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CHRNB2 3786/4885CHRNA4 4456/4885CHRNB4 4022/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CHRNB2 3786/4885CHRNA4 4456/4885CHRNB4 4022/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE CHRNB2 3186/4885CHRNA4 3360/4885CHRNB4 3339/4885
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CHRNB2 3786/4885CHRNA4 4456/4885CHRNB4 4022/4885

“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.