SCHEMBL709501

SCHEMBL709501

NN1CC=C(c2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NR1H2 P55055 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 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
Iodide SCHEMBL30847673 0.76 GABRA1 (0.36) HTR1AHTR2AHTR7HTR5AHTR6
SCHEMBL30783422 0.73 CACNA1G (0.39) ALDH1A1KMT2ABRD4
SCHEMBL10965989 0.70 GABRA1 (0.33) HTR1AHTR2AHTR7HTR5AHTR6
SCHEMBL17988732 0.66 CCKBR (0.38) MGLLNR1H2GABRA1GABRG2GABRB3
SCHEMBL6919772 0.66 GABRA1 (0.54) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL5138581 0.65 GABRA1 (0.52) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL12572656 0.64 NPC1 (0.41) HTR1AALDH1A1MAPK1KMT2A
SCHEMBL29598333 0.61 ALDH1A1 (0.39) HTR6ALDH1A1HSD17B10MAPK1PTPRC
SCHEMBL170839 0.61 ALDH1A1 (0.39) HTR6ALDH1A1HSD17B10MAPK1PTPRC
Biphenyl SCHEMBL1902332 0.61 ALDH1A1 (0.75) ALDH1A1HSD17B10MAPK1

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
US-8124621-B2 Substituted 1-amino-4-phenyl-dihydroisoquinolines, methods for the production thereof, use thereof as a medicament, and medicaments containing them SANOFI-AVENTIS (FR) 2012-02-28 US disclosed
US-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (FR) 2009-05-07 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-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM NDUFAB1, ABCB11, SLC10A1 HTR1A 583/4885HTR2A 1053/4885HTR7 1367/4885

“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.