SCHEMBL19253064

SCHEMBL19253064

N#CC1(c2ccccn2)CCN(C2CC3(CCN(C(=O)O)C3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
PRKCA P17252 1/20 0.42
PTPN2 P17706 1/20 0.42
HTR7 P34969 1/20 0.42
SPR P35270 1/20 0.41
CHRM4 P08173 2/20 0.41
ADRA1A P35348 2/20 0.40
CHRM2 P08172 1/20 0.39
VNN1 O95497 1/20 0.38
F11 P03951 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 6/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 2/20 0.37
HIF1A Q16665 1/20 0.37
CHRM1 P11229 1/20 0.37
GRM1 Q13255 1/20 0.37
CYP3A4 P08684 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL16992355 0.87 CHRM4 (0.57) HSD11B1PRKCAPTPN2HTR7SPR
SCHEMBL761722 0.83 PRKCA (0.51) HSD11B1PRKCAPTPN2HTR7SPR
SCHEMBL23778438 0.76 HRH3 (0.43) HSD11B1PRKCAPTPN2HTR7ADRA1A
SCHEMBL3894380 0.76 PRKCA (0.43) HSD11B1PRKCAPTPN2HTR7SPR
SCHEMBL27176068 0.76 PRKCA (0.42) HSD11B1PRKCAPTPN2HTR7SPR
SCHEMBL18711876 0.75 ALDH1A1 (0.53) HSD11B1PRKCAPTPN2HTR7SPR
SCHEMBL23778348 0.74 CYP2D6 (0.53) HSD11B1CHRM4HRH3CYP2D6
SCHEMBL18702094 0.72 ADRA1A (0.48) HSD11B1PRKCAPTPN2HTR7SPR
SCHEMBL20292065 0.71 GRM1 (0.46) CHRM4ALDH1A1HSD17B10HPGDTSHR
SCHEMBL22797810 0.71 CHRM4 (0.45) CHRM4CHRM2ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 EP claimed
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-08-24 US 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 (1 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-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 HSD11B1 1540/4885PRKCA 1055/4885PTPN2 1014/4885

“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.