SCHEMBL12859637

SCHEMBL12859637

COCN1CCN(c2cccc3sccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.56
HTR2A P28223 17/20 0.56
HTR1A P08908 16/20 0.56
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL10276526 0.84 DRD2 (0.61) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL12559513 0.84 DRD2 (0.59) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL29433198 0.83 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL14671117 0.83 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL22302867 0.82 DRD2 (0.63) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL29433199 0.81 DRD2 (0.75) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL12559512 0.81 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL2056185 0.81 DRD2 (0.57) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL28719638 0.80 DRD2 (0.65) DRD2HTR2AHTR1AHTR2CADRA1A
SCHEMBL10228320 0.79 DRD2 (0.61) DRD2HTR2AHTR1AHTR2CADRA1A

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-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-02 US disclosed
US-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-28 US disclosed
US-9839637-B1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-17 US disclosed
US-9480686-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-11-01 US disclosed
US-9206167-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-12 US disclosed
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-20 US disclosed
US-7888362-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-15 US disclosed
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 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 (6 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-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885HTR2A 29/4885HTR1A 22/4885
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C DRD2 126/4885HTR2A 29/4885HTR1A 22/4885
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD2 126/4885HTR2A 29/4885HTR1A 22/4885
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD2 126/4885HTR2A 29/4885HTR1A 22/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885HTR2A 29/4885HTR1A 22/4885
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885HTR2A 29/4885HTR1A 22/4885

“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.