SCHEMBL6607017

SCHEMBL6607017

O=C(O)CCc1cc2c(N3CCNCC3)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.54
ADRB1 P08588 1/20 0.47
HTR5A P47898 2/20 0.44
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR7 P34969 1/20 0.43
MTOR P42345 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6609224 0.80 HTR6 (0.53) HTR6ADRB1HTR5AHTR1AHTR2A
SCHEMBL6607261 0.77 HTR6 (0.50) HTR6ADRB1HTR5AHTR1AHTR2A
SCHEMBL11766268 0.74 HTR1A (0.55) HTR6ADRB1HTR5AHTR1AHTR2A
SCHEMBL6610074 0.73 HTR3E (0.44) HTR6ADRB1HTR5AHTR1AHTR2A
SCHEMBL4173685 0.73 HTR6 (0.56) HTR6ADRB1HTR5AHTR1AHTR2A
SCHEMBL8654792 0.72 HTR6 (0.51) HTR6ADRB1HTR5AHTR1AHTR2A
Hydrochloric Acid SCHEMBL31414529 0.72 HTR6 (0.50) HTR6ADRB1HTR5AHTR1AHTR2A
Propionic Acid SCHEMBL6607026 0.71 ADRB1 (0.74) HTR6ADRB1HTR1AHTR2ADRD2
SCHEMBL3326633 0.70 HTR6 (1.00) HTR6ADRB1HTR5AHTR1AHTR2A
SCHEMBL1442519 0.70 HTR6 (0.60) HTR6ADRB1HTR5AHTR1AHTR2A

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-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
EP-1337528-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2003-08-27 EP disclosed
WO-2002044170-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2002-06-06 WO 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 HTR6 18/4885ADRB1 82/4885HTR5A 3/4885

“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.