SCHEMBL14739655

SCHEMBL14739655

COc1cc2c(cc1O)CN(CCc1cccc(Br)c1)CC2

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 3/20 0.78
ABCB1 P08183 7/20 0.60
ABCG2 Q9UNQ0 4/20 0.60
DRD3 P35462 4/20 0.56
DRD2 P14416 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
DRD4 P21917 2/20 0.55
DRD1 P21728 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL14739911 0.88 DHCR7 (1.00) DHCR7ABCB1DRD3DRD2TMEM97
SCHEMBL14740411 0.88 DHCR7 (0.79) DHCR7ABCB1ABCG2DRD3DRD2
SCHEMBL3504140 0.88 DHCR7 (0.79) DHCR7ABCB1ABCG2DRD3DRD2
SCHEMBL14740106 0.84 DHCR7 (1.00) DHCR7ABCB1ABCG2CA2CA9
SCHEMBL14740471 0.83 DHCR7 (0.73) DHCR7ABCB1ABCG2CA2CA9
SCHEMBL3042454 0.82 DHCR7 (0.81) DHCR7ABCB1ABCG2DRD3DRD4
SCHEMBL17664977 0.81 DHCR7 (0.79) DHCR7ABCB1ABCG2CA2CA9
SCHEMBL14739580 0.81 DHCR7 (1.00) DHCR7ABCB1ABCG2DRD3DRD2
SCHEMBL14330769 0.81 DHCR7 (0.79) DHCR7ABCB1ABCG2CA2CA9
SCHEMBL13896162 0.79 ABCB1 (0.73) DHCR7ABCB1ABCG2

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 760/4885ABCB1 275/4885ABCG2 1385/4885
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME HTR7, GPR27, HTR5A DHCR7 1398/4885ABCB1 328/4885ABCG2 136/4885

“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.