SCHEMBL1836893

SCHEMBL1836893

O=C1CCc2ccc(OCCCCN3CCN(c4noc5ccc(Cl)cc45)CC3)cc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.62
MAOA P21397 11/20 0.60
DRD3 P35462 4/20 0.60
HTR2A P28223 3/20 0.60
DRD4 P21917 3/20 0.60
DRD1 P21728 2/20 0.60
DRD5 P21918 2/20 0.60
HTR3E A5X5Y0 1/20 0.60
MEN1 O00255 1/20 0.60
MLNR O43193 1/20 0.60
HTR3B O95264 1/20 0.60
ABCB11 O95342 1/20 0.60
ESR1 P03372 1/20 0.60
PGR P06401 1/20 0.60
ADRB2 P07550 1/20 0.60
CHRM2 P08172 1/20 0.60
ABCB1 P08183 1/20 0.60
ADRB1 P08588 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60

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
Hydrochloric Acid SCHEMBL1840787 0.99 DRD2 (0.61) DRD2MAOADRD3HTR2ADRD4
SCHEMBL1836507 0.93 DRD2 (0.62) DRD2MAOADRD3HTR2ADRD4
Hydrochloric Acid SCHEMBL1836513 0.93 DRD2 (0.61) DRD2MAOADRD3HTR2ADRD4
SCHEMBL1836459 0.90 DRD2 (0.63) DRD2MAOADRD3HTR2ADRD4
SCHEMBL1836340 0.90 DRD2 (0.60) DRD2MAOADRD3HTR2ADRD4
SCHEMBL1837720 0.90 DRD2 (0.61) DRD2MAOADRD3HTR2ADRD4
Hydrochloric Acid SCHEMBL1838488 0.89 DRD2 (0.59) DRD2MAOADRD3HTR2ADRD4
Hydrochloric Acid SCHEMBL1839869 0.89 DRD2 (0.62) DRD2MAOADRD3HTR2ADRD4
Hydrochloric Acid SCHEMBL1839058 0.89 DRD2 (0.61) DRD2MAOADRD3HTR2ADRD4
SCHEMBL1840990 0.89 DRD2 (0.68) DRD2MAOADRD3HTR2ADRD4

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 15/4885MAOA 143/4885DRD3 16/4885

“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.