SCHEMBL229443

SCHEMBL229443

O=C(c1ccc(F)cc1)C1(Br)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
SLC6A12 P48065 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
MCHR1 Q99705 1/20 0.54
CYP2D6 P10635 2/20 0.51
MAPK1 P28482 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 1/20 0.50
ATM Q13315 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL224662 0.85 SLC6A12 (0.55) SIGMAR1SLC6A12TMEM97MCHR1CYP2D6
SCHEMBL10923597 0.84 DRD2 (0.58) SIGMAR1SLC6A12TMEM97MCHR1CYP2D6
SCHEMBL373427 0.83 SLC6A12 (0.53) SIGMAR1SLC6A12TMEM97MCHR1CYP2D6
SCHEMBL10924212 0.83 SLC6A12 (0.53) SIGMAR1SLC6A12TMEM97MCHR1CYP2D6
SCHEMBL15157970 0.82 SIGMAR1 (0.52) SIGMAR1SLC6A12TMEM97MCHR1CYP2D6
SCHEMBL1682002 0.78 SLC6A12 (0.53) SIGMAR1SLC6A12TMEM97MCHR1CYP2D6
Bromide SCHEMBL1681802 0.77 SLC6A12 (0.52) SIGMAR1SLC6A12TMEM97MCHR1CYP2D6
SCHEMBL7474168 0.75 KDM4E (0.76) SIGMAR1MAPK1MEN1KMT2ATSHR
SCHEMBL2702170 0.74 ALDH1A1 (0.55) CYP2D6MEN1KMT2ATSHR
SCHEMBL6110923 0.73 OPRL1 (0.79) SIGMAR1MEN1KMT2ADRD2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN disclosed
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
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP 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
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO 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 SIGMAR1 156/4885SLC6A12 3717/4885TMEM97 364/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C SIGMAR1 156/4885SLC6A12 3717/4885TMEM97 364/4885

“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.