SCHEMBL1840380

SCHEMBL1840380

Clc1ccc2c(C3CNCCN3)noc2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 3/20 0.37
▸ CHRNA7 P36544 2/20 0.37
▸ HTR2A P28223 8/20 0.35
▸ DRD3 P35462 6/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR7 P34969 2/20 0.35

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
SCHEMBL9274343 0.80 SSTR4 (0.36) HTR3ACHRNA7HTR2A
SCHEMBL1545681 0.76 MAPK14 (0.47) HTR2ADRD3HTR7
Hydrochloric Acid SCHEMBL607480 0.75 MAPK14 (0.46) HTR2ADRD3HTR7
SCHEMBL23175351 0.73 HTR2A (0.50) HTR3ACHRNA7HTR2ADRD3HTR7
SCHEMBL8559886 0.69 HTR2A (0.47) HTR2ADRD3HTR7
SCHEMBL9591713 0.69 HTR2C (0.33) HTR3AHTR2A
SCHEMBL1638955 0.67 HTR2C (0.44) HTR3AHTR2A
SCHEMBL16165 0.67 HTR2C (0.45) HTR3AHTR2A
SCHEMBL7997129 0.67 HTR2A (0.36) HTR3AHTR2A
SCHEMBL9591706 0.67 MAOB (0.46) ALDH1A1KMT2A

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 3 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 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 HTR3A 1243/4885CHRNA7 681/4885HTR2A 425/4885

“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.

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