SCHEMBL2928713

SCHEMBL2928713

Cc1onc(-c2ccc(Cl)cc2)c1CO

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.52
GPBAR1 Q8TDU6 2/20 0.49
FFAR4 Q5NUL3 1/20 0.48
NOTUM Q6P988 4/20 0.45
P2RX7 Q99572 1/20 0.45
GHSR Q92847 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL2925549 0.86 ALDH1A1 (0.48) GABRA5GPBAR1
SCHEMBL5773713 0.85 GABRA5 (0.50) GABRA5GPBAR1FFAR4GHSRCRHBP
SCHEMBL22230645 0.83 GABRA5 (0.49) GABRA5
SCHEMBL286403 0.83 GABRA5 (0.52) GABRA5GPBAR1
SCHEMBL107436 0.83 PTGS1 (0.58) GABRA5
SCHEMBL2929737 0.81 PTGS1 (0.61) GABRA5GPBAR1NOTUMGHSR
SCHEMBL20241116 0.81 GABRA1 (0.49) GABRA5
SCHEMBL1777617 0.81 GABRA5 (0.46) GABRA5
SCHEMBL5744413 0.80 GABRA5 (0.49) GABRA5GPBAR1FFAR4P2RX7GHSR
SCHEMBL3825236 0.80 GABRA5 (0.52) GABRA5GPBAR1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975164-B1 Octahydrobenzimidazolone compounds as analgetics EURO CELTIQUE SA (LU) 2010-01-27 EP claimed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
CN-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 CN disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP disclosed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
WO-2013057123-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO disclosed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (7 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 GABRA5 1/4885GPBAR1 342/4885FFAR4 891/4885
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 GABRA5 1/4885GPBAR1 208/4885FFAR4 1204/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 GABRA5 1/4885GPBAR1 544/4885FFAR4 934/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR GABRA5 707/4885GPBAR1 1073/4885FFAR4 143/4885
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS NAPRT, CHRNA1, CHRM1 GABRA5 151/4885GPBAR1 740/4885FFAR4 898/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GABRA5 991/4885GPBAR1 813/4885FFAR4 145/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GPBAR1 208/4885FFAR4 1091/4885

“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.