SCHEMBL17598637

SCHEMBL17598637

O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1)OC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
DRD2 P14416 20/20 1.00
HTR2A P28223 20/20 1.00
DRD3 P35462 11/20 0.82

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
SCHEMBL19809060 1.00 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL19809053 0.96 HTR1A (0.93) HTR1ADRD2HTR2ADRD3
SCHEMBL17598572 0.96 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL17598625 0.91 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL17598631 0.91 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL19824708 0.91 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL17598649 0.90 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL17598577 0.90 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL19824743 0.90 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL19809048 0.89 HTR1A (0.80) HTR1ADRD2HTR2ADRD3

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-2995617-B1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS SHANGHAI INST PHARMACEUTICAL IND (CN) 2018-01-31 EP disclosed
US-9550741-B2 Benzoisothiazole compounds and methods of treating schizophrenia SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2017-01-24 US disclosed
US-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS SHANAGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-04-07 US disclosed
EP-2995617-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS Shanghai Institute of Pharmaceutical Industry (CN) 2016-03-16 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-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS HTR3A, SLC6A3, HTR5A HTR1A 11/4885DRD2 10/4885HTR2A 4/4885

“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.