SCHEMBL22809557

SCHEMBL22809557

CC(C)(N)COc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLAU P00749 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL22809604 0.82 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL19083678 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL14051590 0.81 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL11078962 0.80 SMN1; SMN2 (0.53) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL13197550 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL16592103 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL22809581 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL3649246 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL19083879 0.78 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL1926743 0.78 SMN1; SMN2 (0.52) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2

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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 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 (1 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A CYP1A2 2057/4885CYP3A4 2509/4885CYP2C19 3638/4885

“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.