SCHEMBL3076102

SCHEMBL3076102

OCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 1.00
GPBAR1 Q8TDU6 3/20 0.72
CYSLTR2 Q9NS75 7/20 0.71
FFAR1 O14842 1/20 0.67
AKR1B1 P15121 1/20 0.67
ALOX5 P09917 2/20 0.64
PDE10A Q9Y233 2/20 0.61

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
SCHEMBL7095887 0.88 CYSLTR1 (0.79) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL8735648 0.88 CYSLTR1 (0.78) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL9828870 0.87 CYSLTR1 (0.76) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL10544473 0.86 CYSLTR1 (0.84) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL6583310 0.86 CYSLTR1 (0.78) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL8317460 0.85 CYSLTR1 (0.74) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL8001866 0.85 CYSLTR1 (0.74) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL5160956 0.85 CYSLTR1 (0.74) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
Hydrogen Sulfide SCHEMBL9818430 0.84 CYSLTR1 (0.76) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL4848317 0.84 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2ALOX5PDE10A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-6011033-A ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION KOWA CO., LTD. (JP) 2000-01-04 US disclosed
US-5885987-A ANTIHISTAMINE AGENT FOR TREATING ASTHMA, ANTILEUKOTRIENE AGENT, ANTIALLERGENS KOWA CO., LTD. (JP) 1999-03-23 US disclosed
US-5756518-A EXHIBITS ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION; IS USEFUL IN TREATMENT OF ASTHMA KOWA CO., LTD. (JP) 1998-05-26 US disclosed
EP-0539117-B1 Compounds useful as leukotriene antagonists LILLY CO ELI (GB) 1998-03-11 EP disclosed
EP-0799826-A1 Heteroaryl substituted phenylene derivatives, their preparation and their use as leukotriene receptor antagonists KOWA CO. LTD. (JP) 1997-10-08 EP disclosed
US-5622969-A ADMINISTERING TO HUMAN OR ANIMAL SUFFERING FROM ALLERGIC REACTION OF PULMONARY SYSTEM AND OTHER INFLAMMATORY DISORDERS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
WO-1997012865-A1 SYMMETRICAL BISHETEROARYL-METHOXYPHENYL-IMINOXYALKYL-CARBOXYLATES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 WO disclosed
US-5569764-A USEFUL FOR TREATING ALLERGIC REACTIONS OF PULMONARY SYSTEM, ALLERGIC SKIN DISEASES, RHEUMATIC FEVER, CYSTIC FIBROSIS, AND VASCULAR DISEASES ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5486612-A FOR TREATING DISEASES WHICH LEUKOTRIENES MEDIATE ELI LILLY AND COMPANY (US) 1996-01-23 US disclosed
EP-0658554-A1 N-benzyl dihydroindole LTD4 antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed
US-5410061-A Leukotriene antagonist LILLY INDUSTRIES LIMITED (GB) 1995-04-25 US disclosed
EP-0539117-A1 Compounds useful as leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1993-04-28 EP 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 CYSLTR1 660/4885GPBAR1 583/4885CYSLTR2 812/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 CYSLTR1 640/4885GPBAR1 573/4885CYSLTR2 790/4885

“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.