SCHEMBL14740355

SCHEMBL14740355

COc1cc2c(cc1O)CN(CCc1ccccc1F)CC2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 3/20 0.64
ABCB1 P08183 4/20 0.60
DRD3 P35462 8/20 0.56
DRD2 P14416 6/20 0.56
ABCC1 P33527 1/20 0.56
PDE4B Q07343 1/20 0.55
DRD4 P21917 5/20 0.55
TMEM97 Q5BJF2 2/20 0.55
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
DRD1 P21728 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
SCHEMBL14739336 0.87 DHCR7 (0.69) DHCR7ABCB1DRD3DRD2ABCC1
SCHEMBL14739801 0.85 DHCR7 (0.64) DHCR7ABCB1DRD3DRD2ABCC1
SCHEMBL3504140 0.84 DHCR7 (0.79) DHCR7ABCB1DRD3DRD2DRD4
SCHEMBL14739533 0.83 ABCB1 (0.60) DHCR7ABCB1DRD3DRD2ABCC1
SCHEMBL14739544 0.82 ABCB1 (0.50) DHCR7ABCB1ABCC1PDE4B
SCHEMBL3046470 0.81 DRD2 (0.69) DRD3DRD2DRD4TMEM97CA2
SCHEMBL14740322 0.81 DHCR7 (0.60) DHCR7ABCB1DRD3DRD2ABCC1
SCHEMBL30933428 0.81 DHCR7 (0.60) DHCR7ABCB1DRD3DRD2ABCC1
SCHEMBL3042454 0.81 DHCR7 (0.81) DHCR7ABCB1DRD3ABCC1DRD4
SCHEMBL3049243 0.80 DRD3 (0.70) ABCB1DRD3DRD2DRD4TMEM97

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 275/4885DRD3 4205/4885
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME HTR7, GPR27, HTR5A DHCR7 1398/4885ABCB1 328/4885DRD3 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.