SCHEMBL5773713

SCHEMBL5773713

Cc1onc(-c2ccc(Cl)cc2)c1CCl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.50
GPBAR1 Q8TDU6 2/20 0.47
FFAR4 Q5NUL3 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
GHSR Q92847 1/20 0.42

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
SCHEMBL2928713 0.85 GABRA5 (0.52) GABRA5GPBAR1FFAR4CRHBPCRHR2
SCHEMBL286512 0.85 GABRA5 (0.49) GABRA5GPBAR1ALDH1A1
SCHEMBL195699 0.84 PTGS1 (0.58) GABRA5MAPTNPSR1ALDH1A1PKM
SCHEMBL5775028 0.81 GABRA5 (0.52) GABRA5GPBAR1FFAR4MAPTKDM4E
SCHEMBL3821682 0.81 GABRA5 (0.52) GABRA5GPBAR1POLBNPSR1ALDH1A1
SCHEMBL5744413 0.81 GABRA5 (0.49) GABRA5GPBAR1FFAR4CRHBPCRHR2
SCHEMBL21590958 0.81 GABRA1 (0.45) GABRA5
SCHEMBL21590459 0.79 GABRA1 (0.52)
SCHEMBL30062683 0.79 GABRA1 (0.52)
SCHEMBL10262345 0.78 GPBAR1 (0.51) GABRA5GPBAR1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 GABRA5 1/4885GPBAR1 342/4885FFAR4 891/4885
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-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GABRA5 991/4885GPBAR1 813/4885FFAR4 145/4885

“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.