SCHEMBL230073

SCHEMBL230073

CC(=O)N1CCC(C(=O)c2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.53
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL224986 0.89 HSD11B1 (0.48) MGLLHTTNPSR1KMT2AALDH1A1
SCHEMBL4496800 0.87 MGLL (0.51) MGLL
SCHEMBL10395236 0.83 CPS1 (0.55) MGLLKMT2AALDH1A1
SCHEMBL31462554 0.82 STS (0.58) MGLLNPSR1KMT2A
SCHEMBL23215765 0.81 HSP90AA1 (0.55) MGLL
SCHEMBL29745285 0.81 HSP90AA1 (0.55) MGLL
SCHEMBL14141253 0.79 ALDH1A1 (0.52) MGLLTSHRLMNATP53ALOX15
SCHEMBL7411214 0.78 HSD11B1 (0.64) MGLLTSHRKMT2A
SCHEMBL229876 0.78 HSD11B1 (0.65) MGLLKMT2AALDH1A1
SCHEMBL227983 0.77 ALDH1A1 (0.50) MGLLTSHRLMNATP53ALOX15

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 MGLL 4338/4885TSHR 191/4885LMNA 3403/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C MGLL 4338/4885TSHR 191/4885LMNA 3403/4885

“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.