SCHEMBL21590943

SCHEMBL21590943

Cc1onc(-c2ccc(F)cc2)c1Cn1ncc(N2CCN(C(=O)C3(C)CC3)CC2)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA5 P31644 17/20 0.40
GABRG2 P18507 10/20 0.39
GABRB3 P28472 10/20 0.39
KCNH2 Q12809 8/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL21590652 0.89 GABRA1 (0.42) GABRA1
SCHEMBL21590662 0.88 GABRA1 (0.38) GABRA5KCNH2GABRA1
SCHEMBL23150843 0.86 NR1H4 (0.35) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL21593177 0.85 L3MBTL1 (0.35) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL21590593 0.83 L3MBTL1 (0.48) SMN1; SMN2GABRA5GABRG2GABRB3KCNH2
SCHEMBL21590628 0.83 GABRA5 (0.42) LMNATSHRSMN1; SMN2GABRA5
SCHEMBL21590637 0.78 GABRA5 (0.40) LMNAGABRA5GABRG2GABRB3KCNH2
SCHEMBL21590635 0.78 GABRA5 (0.40) LMNAGABRA5GABRG2GABRB3KCNH2
SCHEMBL21590927 0.78 GABRA5 (0.38) GABRA5GABRG2GABRB3KCNH2
SCHEMBL21590995 0.76 GABRA1 (0.44) GABRA1

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
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US claimed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US claimed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
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
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

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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 MAPT 2899/4885LMNA 3204/4885TSHR 387/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 MAPT 1965/4885LMNA 2624/4885TSHR 929/4885

“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.