SCHEMBL14740406

SCHEMBL14740406

COc1cc2c(cc1O)CN(CCCc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.66
ABCG2 Q9UNQ0 6/20 0.66
DHCR7 Q9UBM7 3/20 0.63
ABCC1 P33527 1/20 0.54
DRD3 P35462 6/20 0.53
DRD4 P21917 5/20 0.53
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DRD1 P21728 2/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL14739108 0.94 ABCB1 (0.74) ABCB1ABCG2DHCR7ABCC1
SCHEMBL8790054 0.90 ABCB1 (0.71) ABCB1ABCG2ABCC1
SCHEMBL8789531 0.86 ABCB1 (0.81) ABCB1ABCG2DHCR7
Hydrochloric Acid SCHEMBL10659282 0.85 ABCB1 (0.80) ABCB1ABCG2DHCR7
SCHEMBL14740471 0.84 DHCR7 (0.73) ABCB1ABCG2DHCR7ABCC1
SCHEMBL15295391 0.83 ABCG2 (0.56) ABCB1ABCG2DHCR7ABCC1TDP1
SCHEMBL14739770 0.83 ABCB1 (0.56) ABCB1ABCG2DHCR7ABCC1DRD3
SCHEMBL17664978 0.80 ABCB1 (0.69) ABCB1ABCG2DHCR7
SCHEMBL14740058 0.80 ABCB1 (0.52) ABCB1ABCG2DRD1DRD2
SCHEMBL31633306 0.80 ABCB1 (0.52) ABCB1ABCG2DRD1DRD2

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 3 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-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 (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-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 ABCB1 275/4885ABCG2 1385/4885DHCR7 760/4885

“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.