SCHEMBL22314935

SCHEMBL22314935

O=C(Nc1nc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
SUCNR1 Q9BXA5 1/20 0.41
PPARA Q07869 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.40
MCL1 Q07820 1/20 0.40
PPIA P62937 1/20 0.40
SERPINE1 P05121 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SCN2A Q99250 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
SCHEMBL22314932 0.82 FAAH (0.39) PPARDMRGPRX4SUCNR1SCN10A
SCHEMBL22314933 0.79 ADORA2A (0.46) PPARDMRGPRX4SCN10A
SCHEMBL20472092 0.76 KMT2A (0.52) PPARDMRGPRX4SCN10A
SCHEMBL22314946 0.71 DGAT1 (0.50) MRGPRX4SCN10AMCL1
SCHEMBL13581056 0.71 MRGPRX4 (0.55) PPARDMRGPRX4MCL1PPIASERPINE1
SCHEMBL3818042 0.71 LTA4H (0.65)
SCHEMBL12907207 0.70 C5AR1 (0.53) PPARDMRGPRX4RXRARXRBRXRG
SCHEMBL14729755 0.70 MEN1 (0.46) PPARDMRGPRX4RXRARXRBRXRG
SCHEMBL25865356 0.70 TACR3 (0.44) PPARDMRGPRX4SCN10APPIASCN2A
SCHEMBL2536903 0.70 PPARD (0.51) PPARDMRGPRX4PPARARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-08-06 US 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-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B PPARD 4182/4885MRGPRX4 2879/4885SUCNR1 1340/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B PPARD 4182/4885MRGPRX4 2879/4885SUCNR1 1340/4885

“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.