SCHEMBL228146

SCHEMBL228146

O=C(N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3Cl)CC2)CC1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.54
DRD3 P35462 15/20 0.53
DRD2 P14416 13/20 0.53
HTR2A P28223 5/20 0.52
HTR1A P08908 1/20 0.51
HPGD P15428 1/20 0.49
EPHX2 P34913 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
SCHEMBL228147 1.00 ACKR3 (0.54) ACKR3DRD3DRD2HTR2AHTR1A
SCHEMBL229290 0.94 DRD3 (0.61) ACKR3DRD3DRD2HTR2A
SCHEMBL225951 0.90 DRD3 (0.55) ACKR3DRD3DRD2HTR2A
SCHEMBL225952 0.90 DRD3 (0.55) ACKR3DRD3DRD2HTR2A
SCHEMBL229647 0.90 DRD3 (0.54) DRD3DRD2HTR2AHTR1A
SCHEMBL228867 0.89 HTR2A (0.50) ACKR3DRD3DRD2HTR2AHPGD
SCHEMBL1923323 0.89 HTR2A (0.50) ACKR3DRD3DRD2HTR2AHPGD
SCHEMBL228931 0.87 DRD2 (0.59) DRD3DRD2HTR2AHPGD
SCHEMBL228555 0.86 DRD3 (0.52) DRD3DRD2HTR2A
SCHEMBL2533762 0.86 HSD11B1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 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.