SCHEMBL14739108

SCHEMBL14739108

COc1cc2c(cc1O)CN(CCc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.74
ABCG2 Q9UNQ0 8/20 0.74
DHCR7 Q9UBM7 3/20 0.72
ABCC1 P33527 1/20 0.56
KCNJ1 P48048 1/20 0.54
KCNH2 Q12809 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
SCHEMBL14740406 0.94 ABCB1 (0.66) ABCB1ABCG2DHCR7ABCC1
SCHEMBL8789531 0.92 ABCB1 (0.81) ABCB1ABCG2DHCR7KCNJ1KCNH2
Hydrochloric Acid SCHEMBL10659282 0.91 ABCB1 (0.80) ABCB1ABCG2DHCR7KCNJ1KCNH2
SCHEMBL14740471 0.90 DHCR7 (0.73) ABCB1ABCG2DHCR7ABCC1
Hydrochloric Acid SCHEMBL11382753 0.86 ABCB1 (0.71) ABCB1ABCG2KCNJ1KCNH2
SCHEMBL8790054 0.85 ABCB1 (0.71) ABCB1ABCG2ABCC1
SCHEMBL3042454 0.85 DHCR7 (0.81) ABCB1ABCG2DHCR7ABCC1
SCHEMBL17664978 0.84 ABCB1 (0.69) ABCB1ABCG2DHCR7KCNJ1KCNH2
Hydrochloric Acid SCHEMBL11280074 0.84 ABCB1 (0.71) ABCB1ABCG2ABCC1KCNJ1KCNH2
SCHEMBL17664977 0.84 DHCR7 (0.79) ABCB1ABCG2DHCR7

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 10 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
CN-116964044-A Acetamido-phenyltetrazole derivatives and methods of use thereof 希华医药有限公司 2023-10-27 CN disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
EP-4225747-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP disclosed
WO-2022076663-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 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 (4 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-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, CYP3A5, CYP3A7 ABCB1 1/4885ABCG2 18/4885DHCR7 332/4885
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 ABCB1 275/4885ABCG2 1385/4885DHCR7 760/4885
US-20200071274-A1 8-PHENYL-ISOQUINOLINES AND PHARMACEUTICAL COMPOSITION THEREOF USED IN THE TREATMENT OF IRRITABLE BOWEL SYNDROME HTR7, GPR27, HTR5A ABCB1 328/4885ABCG2 136/4885DHCR7 1398/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 ABCB1 1/4885ABCG2 18/4885DHCR7 332/4885

“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.