SCHEMBL227314

SCHEMBL227314

O=C(NCCCCN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
HTR3A P46098 1/20 0.60
CCR3 P51677 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
CCR2 P41597 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
HTR2A P28223 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL227492 0.86 MAPT (0.67) TP53MAPTHTR3ACCR3SMN1; SMN2
SCHEMBL7302889 0.82 LMNA (0.69) CCR3SMN1; SMN2LMNAHTTKDM4E
SCHEMBL229207 0.81 SMN1; SMN2 (0.56) TP53MAPTSMN1; SMN2LMNAHTT
SCHEMBL229208 0.81 SMN1; SMN2 (0.56) TP53MAPTSMN1; SMN2LMNAHTT
SCHEMBL6330767 0.81 CCR3 (0.81) TP53MAPTCCR3CCR2HTR2A
SCHEMBL4981830 0.81 HTR2A (0.63) CCR3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL229428 0.80 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTHTR2AALDH1A1
SCHEMBL227108 0.80 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTKDM4EHTR2A
SCHEMBL229429 0.80 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTHTR2AALDH1A1
SCHEMBL10712423 0.80 ALDH1A1 (0.62) HTR2AALDH1A1

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-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN claimed
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 claimed
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
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 TP53 4711/4885MAPT 3747/4885HTR3A 2/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C TP53 4711/4885MAPT 3747/4885HTR3A 2/4885

“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.