SCHEMBL229244

SCHEMBL229244

O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.60
HTR2A P28223 7/20 0.60
DRD3 P35462 7/20 0.60
DRD4 P21917 1/20 0.56
SLC6A12 P48065 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
MCHR1 Q99705 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
HSD11B1 P28845 1/20 0.54
CHRM4 P08173 1/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL230363 0.95 DRD2 (0.62) DRD2HTR2ADRD3SLC6A12TMEM97
SCHEMBL229149 0.90 DRD3 (0.54) DRD2HTR2ADRD3
SCHEMBL228721 0.90 DRD2 (0.65) DRD2HTR2ADRD3
SCHEMBL230173 0.89 PRKAA2 (0.52) DRD2HTR2ADRD3
SCHEMBL228817 0.89 PRKAA2 (0.52) DRD2HTR2ADRD3
SCHEMBL229706 0.89 DRD2 (0.55) DRD2HTR2ADRD3DRD4SLC6A12
SCHEMBL228988 0.88 DRD2 (0.58) DRD2HTR2ADRD3
SCHEMBL229412 0.88 HTR2A (0.58) DRD2HTR2ADRD3HSD11B1
SCHEMBL229383 0.88 HTR2A (0.62) DRD2HTR2ADRD3SLC6A12TMEM97
SCHEMBL229413 0.88 HTR2A (0.58) DRD2HTR2ADRD3HSD11B1

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-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

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 DRD2 16/4885HTR2A 1/4885DRD3 18/4885

“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.