SCHEMBL229207

SCHEMBL229207

O=C(NCC1CCC1CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.53
MGLL Q99685 1/20 0.51
HSD11B1 P28845 1/20 0.51
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
NAMPT P43490 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 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
SCHEMBL229208 1.00 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1MGLL
SCHEMBL229429 0.93 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTALDH1A1MGLL
SCHEMBL229428 0.93 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTALDH1A1MGLL
SCHEMBL2533780 0.82 MGLL (0.48) SMN1; SMN2LMNAHTTALDH1A1MGLL
SCHEMBL227582 0.82 MGLL (0.48) SMN1; SMN2LMNAHTTALDH1A1MGLL
SCHEMBL2533784 0.82 MGLL (0.48) SMN1; SMN2LMNAHTTALDH1A1MGLL
SCHEMBL227583 0.82 MGLL (0.48) SMN1; SMN2LMNAHTTALDH1A1MGLL
SCHEMBL227314 0.81 TP53 (0.64) SMN1; SMN2LMNAHTTALDH1A1HTR2A
SCHEMBL228722 0.81 MGLL (0.54) SMN1; SMN2LMNAHTTMGLLHSD11B1
SCHEMBL228723 0.81 MGLL (0.54) SMN1; SMN2LMNAHTTMGLLHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO 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
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
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO 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 SMN1; SMN2 3058/4885LMNA 3403/4885HTT 914/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C SMN1; SMN2 3058/4885LMNA 3403/4885HTT 914/4885

“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.