SCHEMBL3693402

SCHEMBL3693402

CC(C)(C)OC(=O)N1CCC[C@@H]1CNCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
PSEN1 P49768 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL3693406 1.00 APP (0.48) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL20794631 1.00 APP (0.48) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL12443517 0.89 SLC6A2 (0.47) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL25650104 0.89 OPRD1 (0.52) METTL3OPRD1FPR3FPR2KDM1A
SCHEMBL1682323 0.89 OPRD1 (0.52) METTL3OPRD1FPR3FPR2KDM1A
SCHEMBL3042734 0.87 HDAC1 (0.46) METTL3OPRD1FPR3FPR2KDM1A
SCHEMBL3040364 0.85 FPR3 (0.52) METTL3OPRD1FPR3FPR2KDM1A
SCHEMBL23478097 0.85 CCR3 (0.47) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL10132250 0.85 CCR3 (0.47) APPHTR1AADRA2ADRD2ADRA2B
SCHEMBL3044046 0.84 METTL3 (0.43) APPHTR1AADRA2ADRD2ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C APP 2508/4885HTR1A 5/4885ADRA2A 21/4885

“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.