SCHEMBL31066767

SCHEMBL31066767

CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(C(F)(F)F)n3Cc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
ADORA2A P29274 1/20 0.42
PLA2G1B P04054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HTR6 P50406 3/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
CACNA1G O43497 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PDK2 Q15119 1/20 0.39
STS P08842 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL21301981 1.00 MAPK1 (0.47) MAPK1SMN1; SMN2ADORA2APLA2G1BL3MBTL1
SCHEMBL21302004 0.93 CHRM2 (0.44) PDK2CHRM2CHRM4CHRM1CHRM3
SCHEMBL21301993 0.89 S1PR3 (0.39) SMN1; SMN2TP53PDK2HTTNPSR1
SCHEMBL31066766 0.89 S1PR3 (0.39) SMN1; SMN2TP53PDK2HTTNPSR1
SCHEMBL21301991 0.89 PARP1 (0.42) MAPK1SMN1; SMN2MAPTPARP1PARP2
SCHEMBL21301982 0.89 KDM4E (0.45) SMN1; SMN2MAPTTP53NPSR1
SCHEMBL30516380 0.88 PLA2G1B (0.45) SMN1; SMN2PLA2G1BL3MBTL1ATG4BHTR6
SCHEMBL21302005 0.85 TP53 (0.39) TP53PDK2CHRM2CHRM4CHRM1
SCHEMBL21291591 0.84 HTR6 (0.48) PLA2G1BL3MBTL1ATG4BHTR6MAPT
SCHEMBL30516335 0.84 HTR6 (0.48) PLA2G1BL3MBTL1ATG4BHTR6MAPT

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
US-12319682-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists ADAMED PHARMA S.A. (PL) 2025-06-03 US disclosed
US-20240287056-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT 2A AND 5-HT6 RECEPTOR ANTAGONISTS Adamed Pharma S.A (PL) 2024-08-29 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 (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-12319682-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists HTR2A, HTR6, HTR2C MAPK1 4406/4885SMN1; SMN2 3365/4885ADORA2A 21/4885
US-20240287056-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT 2A AND 5-HT6 RECEPTOR ANTAGONISTS HTR2A, HTR6, HTR2C MAPK1 4353/4885SMN1; SMN2 3307/4885ADORA2A 22/4885

“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.