SCHEMBL1578065

SCHEMBL1578065

Cc1ccc2scc(C(O)CCN3CCNCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.48
HTR7 P34969 3/20 0.47
HTR1D P28221 1/20 0.47

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 SCHEMBL1577973 0.99 HTR1A (0.48) HTR1AHTR7HTR1D
SCHEMBL1577843 0.86 HTR1A (0.52) HTR1AHTR7HTR1D
Hydrochloric Acid SCHEMBL1577952 0.85 HTR1A (0.51) HTR1AHTR7HTR1D
SCHEMBL1578095 0.84 HTR1A (0.66) HTR1AHTR7HTR1D
Hydrochloric Acid SCHEMBL1578045 0.83 HTR1A (0.65) HTR1AHTR7HTR1D
SCHEMBL15589874 0.82 HTR1A (0.54) HTR1AHTR7HTR1D
Hydrochloric Acid SCHEMBL15589853 0.81 HTR1A (0.53) HTR1AHTR7HTR1D
SCHEMBL1578041 0.80 HTR1A (0.57) HTR1AHTR7HTR1D
SCHEMBL1578156 0.80 HTR1A (0.47) HTR1AHTR7HTR1D
SCHEMBL1577923 0.80 HTR1A (0.45) HTR1AHTR7HTR1D

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
US-20110118263-A1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO. LTD. (CN) 2011-05-19 US claimed
EP-2311828-A1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2011-04-20 EP claimed
US-20110118263-A1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO. LTD. (CN) 2011-05-19 US disclosed
EP-2311828-A1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2011-04-20 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-20110118263-A1 BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT TPH1, HTR1A, TPH2 HTR1A 2/4885HTR7 25/4885HTR1D 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.