SCHEMBL16992448

SCHEMBL16992448

CCOC(=O)N1CCC2(CC(N3CCC([C@@H]4CCCN4C(=O)C(C)N)CC3)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 6/20 0.49
▸ CHRM2 P08172 3/20 0.41
▸ CHRM1 P11229 6/20 0.37
▸ TP53 P04637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ DPP4 P27487 6/20 0.35
▸ DPP7 Q9UHL4 3/20 0.35
▸ FAP Q12884 2/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ PREP P48147 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CHRM5 P08912 1/20 0.32
▸ CHRM3 P20309 1/20 0.32

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
SCHEMBL16992449 1.00 CHRM4 (0.49) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL20909164 0.90 CHRM4 (0.53) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL16992560 0.90 CHRM4 (0.53) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL16992446 0.89 CHRM4 (0.49) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL18923657 0.89 CHRM4 (0.49) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL20292198 0.88 DPP4 (0.38) CHRM4CHRM1DPP4DPP7FAP
SCHEMBL16992364 0.88 CHRM4 (0.52) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL20292199 0.88 DPP4 (0.38) CHRM4CHRM1DPP4DPP7FAP
SCHEMBL16992430 0.87 CHRM4 (0.51) CHRM4CHRM2CHRM1TP53TDP1
SCHEMBL16992250 0.87 CHRM4 (0.49) CHRM4CHRM2CHRM1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 — — US claimed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 — — US claimed
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 — — EP claimed
EP-3102568-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2016-12-14 — — EP claimed
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 — — WO claimed

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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 CHRM4 3/4885CHRM2 2/4885CHRM1 1/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 CHRM4 3/4885CHRM2 2/4885CHRM1 1/4885

“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.

Send feedback