SCHEMBL224514

SCHEMBL224514

O=C(COCc1ccccc1)N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 6/20 0.42
DRD3 P35462 6/20 0.42
DRD2 P14416 1/20 0.42
CCR3 P51677 1/20 0.42
KCNH2 Q12809 1/20 0.42
ACKR3 P25106 1/20 0.42

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
SCHEMBL227883 0.92 ACKR3 (0.45) SIGMAR1L3MBTL1HTR2ADRD3DRD2
SCHEMBL228712 0.84 HTR2A (0.53) HTR2ADRD3DRD2ACKR3
SCHEMBL229647 0.81 DRD3 (0.54) HTR2ADRD3DRD2
SCHEMBL229196 0.81 DRD3 (0.62) HTR2ADRD3DRD2ACKR3
SCHEMBL228525 0.81 DRD3 (0.62) HTR2ADRD3DRD2ACKR3
SCHEMBL229706 0.80 DRD2 (0.55) SIGMAR1HTR2ADRD3DRD2
SCHEMBL228555 0.80 DRD3 (0.52) HTR2ADRD3DRD2
SCHEMBL225825 0.79 DRD3 (0.54) HTR2ADRD3DRD2
SCHEMBL225824 0.79 DRD3 (0.54) HTR2ADRD3DRD2
SCHEMBL228919 0.79 DRD2 (0.52) HTR2ADRD3DRD2CCR3ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US claimed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C SIGMAR1 156/4885L3MBTL1 3491/4885HTR2A 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.