SCHEMBL1243263

SCHEMBL1243263

COc1cc(C(=O)NCC(OC)OC)cc(C)c1OCCCN1CCN(c2cccc3sccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.53
HTR1A P08908 4/20 0.53
HTR2A P28223 4/20 0.53
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL513130 0.89 DRD2 (0.66) DRD2HTR1AHTR2AHTR2CADRA1A
Hydrochloric Acid SCHEMBL2702236 0.85 HTR2A (0.54) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL293387 0.82 DRD2 (0.53) DRD2HTR1AHTR2AHTR2CADRA1A
Hydrochloric Acid SCHEMBL4294507 0.82 HTR2A (0.53) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL12062552 0.81 DRD2 (0.53) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL294686 0.80 HTR2A (0.53) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL294926 0.80 HTR2A (0.53) DRD2HTR1AHTR2A
SCHEMBL294062 0.80 HTR2A (0.53) DRD2HTR1AHTR2A
SCHEMBL1244053 0.80 DRD2 (0.50) DRD2HTR1AHTR2AHTR2CADRA1A
SCHEMBL293244 0.80 DRD2 (0.68) DRD2HTR1AHTR2AHTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP claimed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US claimed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP claimed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US claimed

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-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 DRD2 139/4885HTR1A 29/4885HTR2A 92/4885

“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.