SCHEMBL226343

SCHEMBL226343

O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[C@H](CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.59
DCUN1D1 Q96GG9 1/20 0.59
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTR2A P28223 3/20 0.47
DRD3 P35462 2/20 0.47
USP30 Q70CQ3 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 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
SCHEMBL226342 1.00 UBE2M (0.59) UBE2MDCUN1D1MAPTMEN1NPY1R
SCHEMBL227108 0.88 SMN1; SMN2 (0.55) POLBALDH1A1HTR2ADRD3LMNA
SCHEMBL2527163 0.88 HTR2A (0.57) POLBHTR2ADRD3HTR2CHTR7
SCHEMBL228927 0.88 HTR2A (0.57) POLBHTR2ADRD3HTR2CHTR7
SCHEMBL229382 0.83 HTR2A (0.62) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL229383 0.83 HTR2A (0.62) HTR2ADRD3HTR2CHTR7HTR6
SCHEMBL226185 0.81 SMN1; SMN2 (0.65) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL224604 0.79 HTR2A (0.57) ALDH1A1HTR2ADRD3LMNAHTT
SCHEMBL227209 0.79 HTR2A (0.57) POLBALDH1A1HTR2ADRD3LMNA
SCHEMBL227208 0.79 HTR2A (0.57) POLBALDH1A1HTR2ADRD3LMNA

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 4 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
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-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 (2 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 UBE2M 4342/4885DCUN1D1 2556/4885MAPT 3747/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C UBE2M 4342/4885DCUN1D1 2556/4885MAPT 3747/4885

“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.