SCHEMBL224843

SCHEMBL224843

NC(=O)C1(CC(C(=O)c2ccccc2)N2CCCCC2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.54
SLC6A2 P23975 12/20 0.54
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSP90AA1 P07900 1/20 0.41
SLC6A4 P31645 8/20 0.41

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
SCHEMBL2432526 0.79 CYP1A2 (0.53) ALDH1A1MAPTTSHRKMT2ACYP1A2
SCHEMBL2432098 0.79 CYP1A2 (0.53) ALDH1A1MAPTTSHRKMT2ACYP1A2
SCHEMBL9037624 0.76 SLC6A3 (0.68) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL11665417 0.75 SLC6A3 (0.75) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL27563959 0.75 SLC6A3 (0.66) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL4939421 0.73 SLC6A3 (0.77) SLC6A3SLC6A2RAB9AHSP90AA1SLC6A4
SCHEMBL2552830 0.73 SLC6A3 (0.68) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL27098435 0.71 SLC6A3 (0.69) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL27098440 0.71 SLC6A3 (0.69) SLC6A3SLC6A2RAB9AALDH1A1MAPT
SCHEMBL4936204 0.71 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4

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 7 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-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 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
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 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 SLC6A3 73/4885SLC6A2 168/4885RAB9A 971/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C SLC6A3 73/4885SLC6A2 168/4885RAB9A 971/4885
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A SLC6A3 37/4885SLC6A2 156/4885RAB9A 653/4885

“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.