SCHEMBL14740322

SCHEMBL14740322

COc1cc2c(cc1O)CN(CCc1c[nH]c3ccccc13)CC2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 3/20 0.60
SLC6A4 P31645 6/20 0.57
HTR2A P28223 2/20 0.57
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR7 P34969 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
ABCB1 P08183 2/20 0.54
SLC6A2 P23975 5/20 0.50
SLC6A3 Q01959 5/20 0.50
PDE4D Q08499 3/20 0.50
ABCC1 P33527 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50

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
SCHEMBL30933428 1.00 DHCR7 (0.60) DHCR7SLC6A4HTR2AHTR1ADRD2
SCHEMBL14739801 0.83 DHCR7 (0.64) DHCR7DRD2DRD3ABCB1ABCC1
SCHEMBL14740355 0.81 DHCR7 (0.64) DHCR7DRD2DRD3ABCB1ABCC1
SCHEMBL14739336 0.81 DHCR7 (0.69) DHCR7DRD2DRD3ABCB1ABCC1
SCHEMBL3504140 0.80 DHCR7 (0.79) DHCR7DRD2DRD3ABCB1
SCHEMBL734941 0.80 HTR2A (0.85) SLC6A4HTR2AHTR1ADRD2HTR7
SCHEMBL14739964 0.79 HTR1A (0.49) DHCR7SLC6A4HTR2AHTR1ADRD2
SCHEMBL14739533 0.78 ABCB1 (0.60) DHCR7DRD2DRD3ABCB1ABCC1
SCHEMBL10647034 0.77 HTR1A (0.55) SLC6A4HTR2AHTR1ADRD2HTR7
SCHEMBL14740404 0.76 DHCR7 (0.74) DHCR7DRD2DRD3ABCB1ABCC1

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-3589626-B1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME UNIV NAT TAIWAN (TW) 2024-06-12 EP disclosed
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME NATIONAL TAIWAN UNIVERSITY (TW) 2020-03-05 US disclosed
US-8552028-B2 8-phenylisoquinolines and pharmaceutical composition used in treatment for sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-10-08 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 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 (2 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-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 DHCR7 760/4885SLC6A4 4125/4885HTR2A 2413/4885
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME HTR7, GPR27, HTR5A DHCR7 1398/4885SLC6A4 233/4885HTR2A 23/4885

“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.