SCHEMBL2530722

SCHEMBL2530722

O=C(Cc1ccon1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.50
HTR2C P28335 3/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
DRD3 P35462 7/20 0.47
DRD2 P14416 5/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL228799 0.83 HTR2A (0.56) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL28775592 0.83 HTR2C (0.56) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL229959 0.82 HTR2A (0.58) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL2529010 0.82 HTR2A (0.58) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL227675 0.81 DRD3 (0.61) HTR2ADRD3DRD2
SCHEMBL10086687 0.81 HTR2A (0.53) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL10086700 0.81 HTR2A (0.54) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL229811 0.80 SMN1; SMN2 (0.50) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL229810 0.80 SMN1; SMN2 (0.50) HTR2AHTR2CHTR7HTR6SMN1; SMN2
SCHEMBL224604 0.80 HTR2A (0.57) HTR2AHTR2CHTR7HTR6SMN1; SMN2

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 2 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 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 (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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C HTR2A 1/4885HTR2C 3/4885HTR7 22/4885

“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.