SCHEMBL229910

SCHEMBL229910

NC1CCC(CCN2CCC(C(=O)c3ccccc3Cl)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.54
KDM2B Q8NHM5 1/20 0.52
DRD3 P35462 5/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
MGLL Q99685 1/20 0.43
HTR2A P28223 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.42
HSD11B1 P28845 1/20 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
SCHEMBL229911 1.00 DRD2 (0.54) DRD2KDM2BDRD3RAB9AALDH1A1
SCHEMBL4978497 0.89 KDM2B (0.51) DRD2KDM2BDRD3RAB9AALDH1A1
SCHEMBL224844 0.88 KDM2B (0.50) DRD2KDM2BDRD3RAB9AALDH1A1
SCHEMBL230665 0.87 DRD2 (0.48) DRD2KDM2BDRD3ALDH1A1MAPT
SCHEMBL227946 0.87 DRD2 (0.48) DRD2DRD3ALDH1A1HTR2A
SCHEMBL230816 0.85 HSD11B1 (0.49) DRD2RAB9AALDH1A1HTR2AMEN1
SCHEMBL27758351 0.85 HSD11B1 (0.49) DRD2RAB9AALDH1A1HTR2AMEN1
Hydrochloric Acid SCHEMBL229348 0.82 HTR2A (0.60) SMN1; SMN2HTR2AMEN1KMT2A
Hydrochloric Acid SCHEMBL229349 0.82 HTR2A (0.60) SMN1; SMN2HTR2AMEN1KMT2A
SCHEMBL27737765 0.82 KDM2B (0.44) DRD2KDM2BDRD3RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 DRD2 16/4885KDM2B 1705/4885DRD3 18/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DRD2 16/4885KDM2B 1705/4885DRD3 18/4885

“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.