SCHEMBL6709248

SCHEMBL6709248

CSc1ccccc1N1CCNC(Cc2nc3cscc3[nH]2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.47
HTR1A P08908 13/20 0.33
HTR3A P46098 12/20 0.33
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 5/20 0.33
CYP2D6 P10635 5/20 0.33
CYP2C9 P11712 5/20 0.33
HTR7 P34969 3/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
HRH2 P25021 2/20 0.33
HTR1B P28222 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HRH1 P35367 2/20 0.33
HTR5A P47898 2/20 0.33
HTR6 P50406 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL4823304 0.78 DRD4 (0.76) DRD4HTR1AHTR2ADRD2
SCHEMBL5331948 0.74 HTR1A (0.40) DRD4HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL14355725 0.74 HTR1A (0.40) DRD4HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL14387771 0.69 HTR1A (0.43) DRD4HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL5335072 0.69 HTR1A (0.43) DRD4HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL5335772 0.69 HTR1A (0.43) DRD4HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL4813879 0.64 DRD4 (1.00) DRD4HTR1AHTR2ADRD2
SCHEMBL336256 0.61 HTR1A (0.66) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL4819196 0.61 DRD4 (0.76) DRD4DRD2
SCHEMBL4824080 0.61 DRD4 (0.74) DRD4HTR1AHTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 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-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 1401/4885HTR1A 293/4885HTR3A 483/4885

“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.