SCHEMBL1835500

SCHEMBL1835500

O=C1CCc2ccc(OCCN3CCN(c4nsc5ccccc45)CC3)cc2N1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.78
HTR2A P28223 5/20 0.78
HTR1A P08908 2/20 0.78
HTR7 P34969 2/20 0.78
HTR6 P50406 2/20 0.78
MAOA P21397 5/20 0.60
MAOB P27338 5/20 0.60
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ABCB11 O95342 1/20 0.56
PGR P06401 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
MAPT P10636 1/20 0.56
CHRM1 P11229 1/20 0.56
GOT1 P17174 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56

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
SCHEMBL1837864 0.96 DRD2 (0.82) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL1842045 0.95 DRD2 (0.87) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL27804329 0.85 HTR2A (0.63) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL1836906 0.84 DRD2 (0.70) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL1834721 0.84 DRD2 (0.70) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL10572654 0.81 DRD2 (0.88) DRD2MAOAMAOBDRD4SLC6A4
SCHEMBL30964254 0.80 DRD2 (0.60) DRD2MAOAMAOBDRD4SLC6A4
SCHEMBL1839696 0.80 DRD2 (0.69) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL1842068 0.80 DRD2 (0.69) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL9367026 0.80 HTR2A (0.69) DRD2HTR2AHTR1AHTR7HTR6

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-8653069-B2 Aralkyl substituted piperidine or piperazine derivatives and their use for treating schizophrenia JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-02-18 US claimed
US-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia JIANGSU GOWORTH INVESTMENT CO. LTD. (CN) 2011-06-30 US claimed
EP-2322520-A1 ARALKYL SUBSTITUTED PIPERIDINE OR PIPERAZINE DERIVATIVES AND THEIR USE FOR TREATING SCHIZOPHRENIA Jiangsu Guohua Investment Co., Ltd (CN) 2011-05-18 EP claimed
US-8653069-B2 Aralkyl substituted piperidine or piperazine derivatives and their use for treating schizophrenia JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-02-18 US disclosed
US-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia JIANGSU GOWORTH INVESTMENT CO. LTD. (CN) 2011-06-30 US disclosed
EP-2322520-A1 ARALKYL SUBSTITUTED PIPERIDINE OR PIPERAZINE DERIVATIVES AND THEIR USE FOR TREATING SCHIZOPHRENIA Jiangsu Guohua Investment Co., Ltd (CN) 2011-05-18 EP 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 (1 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-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia REN, GRIK5, CAT DRD2 15/4885HTR2A 425/4885HTR1A 1234/4885

“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.