SCHEMBL228958

SCHEMBL228958

CCOC(=O)C[C@H]1CC[C@H](NC(=O)c2ccnc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.52
▸ DRD3 P35462 13/20 0.52
▸ HTR2A P28223 9/20 0.52
▸ HTR1A P08908 3/20 0.52
▸ DRD4 P21917 3/20 0.52
▸ HTR2C P28335 3/20 0.52
▸ HTR2B P41595 3/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ FAP Q12884 1/20 0.50
▸ HRH1 P35367 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ AR P10275 2/20 0.46

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
SCHEMBL224991 1.00 DRD2 (0.52) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL224990 0.99 DRD2 (0.51) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL224992 0.99 DRD2 (0.51) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL228811 0.85 DRD3 (0.55) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL228810 0.85 DRD3 (0.55) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3087229 0.84 DRD3 (0.54) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL228527 0.83 DRD2 (0.52) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL228528 0.83 DRD2 (0.52) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3087231 0.83 DRD3 (0.53) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3087238 0.83 DRD3 (0.53) DRD2DRD3HTR2AHTR1ADRD4

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 11 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
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 — — EP 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
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-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 — — US disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 — — EP disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 — — EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 — — 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
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 — — WO 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 (3 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 DRD2 16/4885DRD3 18/4885HTR2A 1/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD2 16/4885DRD3 18/4885HTR2A 1/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A DRD2 59/4885DRD3 71/4885HTR2A 565/4885

“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.

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