SCHEMBL9850795

SCHEMBL9850795

O=C(O)CC1COc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.49
PPARD Q03181 14/20 0.49
FFAR1 O14842 13/20 0.45
PPARA Q07869 2/20 0.45
MAOB P27338 1/20 0.39

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
SCHEMBL9850794 0.81 L3MBTL1 (0.43) PPARGPPARDFFAR1
SCHEMBL27094832 0.80 HTT (0.37) PPARGPPARDFFAR1
SCHEMBL27094571 0.80 HTT (0.37) PPARGPPARDFFAR1
SCHEMBL27094529 0.77 AKR1B1 (0.39) PPARGPPARDFFAR1
SCHEMBL203850 0.76 PPARG (0.62) PPARGPPARDFFAR1PPARA
SCHEMBL204961 0.76 PPARG (0.62) PPARGPPARDFFAR1PPARA
SCHEMBL28496840 0.75 FFAR1 (0.44) PPARGPPARDFFAR1PPARA
SCHEMBL4040703 0.74 MAOB (0.66) PPARGPPARDFFAR1PPARAMAOB
SCHEMBL19852041 0.72 P2RX7 (0.39)
SCHEMBL19839279 0.71 PPARD (0.44) PPARDFFAR1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C PPARG 4228/4885PPARD 4644/4885FFAR1 3365/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PPARG 4228/4885PPARD 4644/4885FFAR1 3365/4885

“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.