SCHEMBL21597933

SCHEMBL21597933

CCOC(=O)N1C2COCC1CC(N1CCC(C(=O)N3CCCCCC3)CC1)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CHRM1 P11229 5/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL22472933 0.88 HPGD (0.44) ALDH1A1CHRM1TSHRPOLBHPGD
SCHEMBL22472905 0.84 ALDH1A1 (0.53) ALDH1A1CHRM1TSHRMAPTPOLB
SCHEMBL21597928 0.84 MAPT (0.48) ALDH1A1CHRM1MAPTKMT2A
SCHEMBL20585539 0.83 CHRM1 (0.44) ALDH1A1CHRM1TSHRMAPK1
SCHEMBL20584844 0.83 CHRM1 (0.44) ALDH1A1CHRM1TSHRMAPK1
SCHEMBL20584845 0.83 CHRM1 (0.44) ALDH1A1CHRM1TSHRMAPK1
SCHEMBL20585541 0.83 CHRM1 (0.44) ALDH1A1CHRM1TSHRMAPK1
SCHEMBL20584847 0.83 CHRM1 (0.44) ALDH1A1CHRM1TSHRMAPK1
SCHEMBL20585540 0.83 CHRM1 (0.44) ALDH1A1CHRM1TSHRMAPK1
SCHEMBL27176073 0.83 HPGD (0.47) ALDH1A1TSHRHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810614-B1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP claimed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US claimed
EP-3810614-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR Heptares Therapeutics Limited (GB) 2021-04-28 EP claimed
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-01-07 US claimed
WO-2019243851-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 WO claimed
EP-3810614-B1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-01-07 US disclosed
US-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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-11773090-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 ALDH1A1 2016/4885CHRM1 1/4885TSHR 79/4885
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 ALDH1A1 2016/4885CHRM1 1/4885TSHR 79/4885
US-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 ALDH1A1 2016/4885CHRM1 1/4885TSHR 79/4885

“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.