SCHEMBL229757

SCHEMBL229757

O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)c(F)c3)CC2)CC1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
DRD3 P35462 19/20 0.51
DRD2 P14416 17/20 0.51
HTR2A P28223 11/20 0.51
HTR1A P08908 2/20 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
SCHEMBL228964 0.93 DRD3 (0.61) ACKR3DRD3DRD2HTR2A
SCHEMBL228678 0.90 HTR2A (0.56) ACKR3DRD3DRD2HTR2A
SCHEMBL228679 0.90 HTR2A (0.56) ACKR3DRD3DRD2HTR2A
SCHEMBL225649 0.89 DRD3 (0.54) ACKR3DRD3DRD2HTR2A
SCHEMBL229121 0.89 HTR2A (0.54) DRD3DRD2HTR2A
SCHEMBL227209 0.88 HTR2A (0.57) ACKR3DRD3DRD2HTR2A
SCHEMBL227208 0.88 HTR2A (0.57) ACKR3DRD3DRD2HTR2A
SCHEMBL230200 0.87 DRD2 (0.56) DRD3DRD2HTR2AHTR1A
SCHEMBL2533334 0.85 HSD11B1 (0.48) HTR2A
SCHEMBL227206 0.84 HTR2A (0.53) ACKR3DRD3DRD2HTR2A

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 ACKR3 1177/4885DRD3 18/4885DRD2 16/4885

“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.