SCHEMBL225428

SCHEMBL225428

CC(=O)N[C@H]1CC[C@H](CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.47
DRD3 P35462 8/20 0.47
ATM Q13315 1/20 0.41
HTR2A P28223 7/20 0.41
HTR1A P08908 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL225429 1.00 DRD2 (0.47) DRD2DRD3ATMHTR2AHTR1A
SCHEMBL11687711 0.90 DRD2 (0.50) DRD2DRD3ATMHTR2AHTR1A
SCHEMBL11683857 0.84 DRD2 (0.47) DRD2DRD3ATMHTR2AHTR1A
SCHEMBL16556614 0.84 DRD2 (0.47) DRD2DRD3ATMHTR2AKDM4E
SCHEMBL19276714 0.83 ATM (0.44) DRD2DRD3ATMKDM4EALDH1A1
SCHEMBL29765526 0.83 ATM (0.44) DRD2DRD3ATMKDM4EALDH1A1
SCHEMBL19276715 0.83 ATM (0.44) DRD2DRD3ATMKDM4EALDH1A1
SCHEMBL2700734 0.82 KMT2A (0.40) DRD2DRD3ALDH1A1HPGDKMT2A
SCHEMBL2700732 0.82 KMT2A (0.40) DRD2DRD3ALDH1A1HPGDKMT2A
SCHEMBL1900736 0.81 KMT2A (0.57) DRD2DRD3ATMKDM4EALDH1A1

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 22 patents — showing the first 20. 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-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-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
CN-101535258-B ether derivatives dual modulators of the 5HT2A and D3 receptors HOFFMANN LA ROCHE 2012-12-05 CN 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 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
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-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
US-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 US 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-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO 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
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
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 (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 18/4885ATM 4420/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD2 16/4885DRD3 18/4885ATM 4420/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A DRD2 59/4885DRD3 71/4885ATM 4283/4885

“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.