SCHEMBL31731787

SCHEMBL31731787

C#Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ACKR3 P25106 3/20 0.42
PARP1 P09874 2/20 0.42
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
TERT O14746 1/20 0.41
POLB P06746 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
STS P08842 1/20 0.40
KDM1A O60341 1/20 0.39
ACHE P22303 1/20 0.39
FAAH O00519 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
SCHEMBL19013075 0.89 GRM5 (0.45) GRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL23922807 0.83 GRM5 (0.51) GRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL949354 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL465791 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL16061780 0.82 FAAH (0.58) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL25282066 0.81 CHRM4 (0.46) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL22769224 0.81 CHRM2 (0.46) GRM5CHRM2CHRM4CHRM1CHRM3
SCHEMBL22166944 0.80 ACHE (0.48) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL28649806 0.77 MEN1 (0.46) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL21237847 0.77 GPR119 (0.44) CHRM2CHRM4CHRM1CHRM3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250354195-A1 METHOD OF SCREENING UNIV DUNDEE (GB) 2025-11-20 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 (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-20250354195-A1 METHOD OF SCREENING PAICS, COASY, ABCG2 GRM5 4422/4885CHRM2 4215/4885CHRM4 4363/4885

“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.