SCHEMBL228523

SCHEMBL228523

O=C(N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1)c1ccc(N2CCOCC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.59
DRD3 P35462 17/20 0.59
PRKAB2 O43741 2/20 0.57
PRKAG1 P54619 2/20 0.57
PRKAA2 P54646 2/20 0.57
PRKAA1 Q13131 2/20 0.57
PRKAG3 Q9UGI9 2/20 0.57
PRKAG2 Q9UGJ0 2/20 0.57
PRKAB1 Q9Y478 2/20 0.57
DRD2 P14416 5/20 0.53
HSD11B1 P28845 1/20 0.51

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
SCHEMBL225999 1.00 HTR2A (0.59) HTR2ADRD3PRKAB2PRKAG1PRKAA2
SCHEMBL228214 0.91 PRKAA2 (0.56) HTR2ADRD3PRKAB2PRKAG1PRKAA2
SCHEMBL228213 0.91 PRKAA2 (0.56) HTR2ADRD3PRKAB2PRKAG1PRKAA2
SCHEMBL228055 0.91 HTR2A (0.65) HTR2ADRD3DRD2HSD11B1
SCHEMBL229741 0.91 HTR2A (0.65) HTR2ADRD3DRD2HSD11B1
SCHEMBL228909 0.89 HTR2A (0.67) HTR2ADRD3PRKAB2PRKAG1PRKAA2
SCHEMBL228910 0.89 HTR2A (0.67) HTR2ADRD3PRKAB2PRKAG1PRKAA2
SCHEMBL228357 0.87 HTR2A (0.68) HTR2ADRD3PRKAA2DRD2
SCHEMBL228356 0.87 HTR2A (0.68) HTR2ADRD3PRKAA2DRD2
SCHEMBL227854 0.87 HTR2A (0.67) HTR2ADRD3PRKAB2PRKAG1PRKAA2

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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US claimed
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 HTR2A 1/4885DRD3 18/4885PRKAB2 2963/4885

“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.