SCHEMBL21590941

SCHEMBL21590941

OC1CCOC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
SIGMAR1 Q99720 6/20 0.48
TMEM97 Q5BJF2 1/20 0.48
OPRL1 P41146 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRM1 P35372 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL21590851 0.84 SIGMAR1 (0.48) FFAR1SIGMAR1TMEM97OPRL1ALDH1A1
SCHEMBL1966477 0.76 SIGMAR1 (0.61) SIGMAR1TMEM97OPRL1ALDH1A1POLB
SCHEMBL19770185 0.74 ALDH1A1 (0.62) SIGMAR1OPRL1ALDH1A1POLBCYP3A4
SCHEMBL6825503 0.74 FFAR4 (0.54) FFAR1SIGMAR1TMEM97OPRL1ALDH1A1
SCHEMBL266138 0.72 NPC1 (0.71) SIGMAR1ALDH1A1
SCHEMBL7852213 0.72 SIGMAR1 (0.53) SIGMAR1TMEM97OPRL1ALDH1A1POLB
SCHEMBL1975664 0.72 SLC6A2 (0.60) SIGMAR1TMEM97OPRL1ALDH1A1CYP3A4
SCHEMBL6823088 0.72 SIGMAR1 (0.50) FFAR1SIGMAR1TMEM97OPRL1ALDH1A1
SCHEMBL17611770 0.72 CHRM2 (0.69) SIGMAR1CHRM2CHRM3OPRM1CYP2D6
SCHEMBL11686136 0.71 SIGMAR1 (0.68) SIGMAR1TMEM97OPRL1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719384-A2 COMPOUNDS WITH ANTIFUNGAL PROPERTIES Trustees of Dartmouth College (US) 2026-04-08 EP disclosed
WO-2024249290-A2 COMPOUNDS WITH ANTIFUNGAL PROPERTIES TRUSTEES OF DARTMOUTH COLLEGE (US) 2024-12-05 WO 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
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 FFAR1 909/4885SIGMAR1 196/4885TMEM97 141/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 FFAR1 974/4885SIGMAR1 238/4885TMEM97 209/4885

“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.