SCHEMBL14739822

SCHEMBL14739822

CCCCCCCN1CCc2cc(OC)c(O)cc2C1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.80
DHCR7 Q9UBM7 3/20 0.62
DRD3 P35462 12/20 0.61
DRD4 P21917 10/20 0.61
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
DRD1 P21728 5/20 0.59
DRD2 P14416 4/20 0.59
TMEM97 Q5BJF2 1/20 0.56
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL14739726 1.00 ABCB1 (0.80) ABCB1DHCR7DRD3DRD4CA2
SCHEMBL14739918 1.00 ABCB1 (0.80) ABCB1DHCR7DRD3DRD4CA2
SCHEMBL13249664 0.95 ABCB1 (0.75) ABCB1DHCR7DRD3DRD4CA2
Hydrochloric Acid SCHEMBL3509028 0.94 ABCB1 (0.73) ABCB1DHCR7DRD3DRD4CA2
SCHEMBL23001345 0.91 ABCB1 (0.97) ABCB1TMEM97KDM4EGAAMAPT
SCHEMBL3505441 0.89 DHCR7 (0.70) ABCB1DHCR7DRD3DRD4CA2
SCHEMBL10315942 0.89 ABCB1 (1.00) ABCB1TMEM97KDM4EGAAMAPT
SCHEMBL27644910 0.88 ABCB1 (0.67) ABCB1DHCR7DRD3DRD4DRD1
SCHEMBL27644925 0.88 ABCB1 (0.67) ABCB1DHCR7DRD3DRD4DRD1
SCHEMBL27644920 0.88 ABCB1 (0.67) ABCB1DHCR7DRD3DRD4DRD1

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 5 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-11505529-B2 8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome NATIONAL TAIWAN UNIVERSITY (TW) 2022-11-22 US 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 (3 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-11505529-B2 8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome HTR7, GPR27, HTR5A ABCB1 328/4885DHCR7 1398/4885DRD3 579/4885
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 ABCB1 275/4885DHCR7 760/4885DRD3 4205/4885
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME HTR7, GPR27, HTR5A ABCB1 328/4885DHCR7 1398/4885DRD3 579/4885

“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.