SCHEMBL20580436

SCHEMBL20580436

N[C@H]1C[C@@H]2CN(C(=O)O)C[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.33
GRIN2B Q13224 1/20 0.32
CHRNB2 P17787 9/20 0.31
CHRNB4 P30926 9/20 0.31
CHRNA3 P32297 9/20 0.31
CHRNA4 P43681 9/20 0.31
ARG1 P05089 2/20 0.31
NR1H2 P55055 1/20 0.31
CHRNA7 P36544 8/20 0.31
HSD11B1 P28845 1/20 0.30
DPP4 P27487 1/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 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
SCHEMBL1514801 1.00 GABRR1 (0.33) GABRR1GRIN2BCHRNB2CHRNB4CHRNA3
SCHEMBL5649631 1.00 GABRR1 (0.33) GABRR1GRIN2BCHRNB2CHRNB4CHRNA3
SCHEMBL20240028 1.00 GABRR1 (0.33) GABRR1GRIN2BCHRNB2CHRNB4CHRNA3
SCHEMBL8509880 1.00 GABRR1 (0.33) GABRR1GRIN2BCHRNB2CHRNB4CHRNA3
SCHEMBL17112826 0.87 HSD11B1 (0.34) HSD11B1
SCHEMBL11889650 0.86 HSD11B1 (0.36) GRIN2BCHRNA7HSD11B1
SCHEMBL11889498 0.86 HSD11B1 (0.36) GRIN2BCHRNA7HSD11B1
SCHEMBL1439352 0.85
SCHEMBL26918602 0.85
SCHEMBL19815798 0.80 GABRR1 (0.36) GABRR1CHRNB2CHRNA3CHRNA4SLC6A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015503-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-18 WO disclosed
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
EP-4139302-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 EP disclosed
WO-2021216949-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed
US-11124527-B2 Compounds for the modulation of Myc activity SYROS PHARMACEUTICALS, INC. (US) 2021-09-21 US disclosed
WO-2021119265-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-06-17 WO disclosed
WO-2021119254-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-06-17 WO disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed
US-20180354972-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-12-13 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 (5 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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 GABRR1 287/4885GRIN2B 160/4885CHRNB2 23/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 GABRR1 264/4885GRIN2B 897/4885CHRNB2 3046/4885
US-20180354972-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY MYC, MYCBP, MYCBP2 GABRR1 4651/4885GRIN2B 4848/4885CHRNB2 4210/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 GABRR1 264/4885GRIN2B 897/4885CHRNB2 3046/4885
US-11124527-B2 Compounds for the modulation of Myc activity MYC, MYCBP, MYCBP2 GABRR1 4651/4885GRIN2B 4848/4885CHRNB2 4210/4885

“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.