SCHEMBL6599305

SCHEMBL6599305

O=C(CCN1CCN(c2cccc3c2OCC3)CC1)c1csc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.69
HTR1D P28221 1/20 0.63
HTR7 P34969 5/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SOD1 P00441 1/20 0.55
DRD2 P14416 1/20 0.47
DRD3 P35462 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
SCHEMBL6597518 0.86 HTR1A (0.68) HTR1AHTR1DHTR7ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6599103 0.80 HTR1A (0.98) HTR1AHTR1DHTR7ALDH1A1CYP1A2
SCHEMBL6601390 0.79 HTR1A (0.75) HTR1AHTR1DHTR7
SCHEMBL4945982 0.78 HTR1A (0.44) HTR1ADRD2DRD3
SCHEMBL6597325 0.77 HTR1A (1.00) HTR1AHTR1DHTR7ALDH1A1CYP1A2
SCHEMBL12123858 0.77 HTR7 (0.79) HTR1AHTR1DHTR7ALDH1A1CYP1A2
SCHEMBL6596711 0.77 HTR1A (0.74) HTR1AHTR1DHTR7ALDH1A1CYP1A2
SCHEMBL6598440 0.77 HTR1A (0.74) HTR1AHTR1DHTR7ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6598512 0.77 HTR1A (0.98) HTR1AHTR1DHTR7ALDH1A1CYP1A2
SCHEMBL6598069 0.76 HTR7 (0.58) HTR1AHTR1DHTR7SOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP disclosed
US-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof LABORATORIOS VITA, S.A. (ES) 2004-02-19 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 (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-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof TPH1, HTR1A, HTR5A HTR1A 2/4885HTR1D 11/4885HTR7 15/4885

“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.