SCHEMBL227883

SCHEMBL227883

O=C(COCc1ccccc1)N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3Cl)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 6/20 0.43
GRM5 P41594 1/20 0.43
DRD3 P35462 7/20 0.42
DRD2 P14416 5/20 0.42
HTR2A P28223 5/20 0.42
HTR1A P08908 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL224514 0.92 SIGMAR1 (0.47) ACKR3L3MBTL1SIGMAR1DRD3DRD2
SCHEMBL1923323 0.84 HTR2A (0.50) ACKR3DRD3DRD2HTR2A
SCHEMBL228867 0.84 HTR2A (0.50) ACKR3DRD3DRD2HTR2A
SCHEMBL228931 0.84 DRD2 (0.59) SIGMAR1DRD3DRD2HTR2A
SCHEMBL228146 0.82 ACKR3 (0.54) ACKR3DRD3DRD2HTR2AHTR1A
SCHEMBL228147 0.82 ACKR3 (0.54) ACKR3DRD3DRD2HTR2AHTR1A
SCHEMBL230475 0.82 DRD3 (0.60) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL229290 0.78 DRD3 (0.61) ACKR3DRD3DRD2HTR2A
SCHEMBL27758351 0.77 HSD11B1 (0.49) ACKR3DRD2HTR2AHTR2C
SCHEMBL230816 0.77 HSD11B1 (0.49) ACKR3DRD2HTR2AHTR2C

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
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
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C ACKR3 1177/4885L3MBTL1 3491/4885SIGMAR1 156/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C ACKR3 1177/4885L3MBTL1 3491/4885SIGMAR1 156/4885

“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.