SCHEMBL31470109

SCHEMBL31470109

Cc1c(F)cccc1CN

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.46
MAOB P27338 2/20 0.42
PNMT P11086 2/20 0.41
IDO1 P14902 2/20 0.39
AOC3 Q16853 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ACHE P22303 1/20 0.37
P2RX7 Q99572 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL2449638 1.00 TAAR1 (0.46) TAAR1MAOBPNMTIDO1AOC3
SCHEMBL5705869 0.84 TAAR1 (0.61) TAAR1AOC3CD274
Hydrochloric Acid SCHEMBL14157235 0.83 TAAR1 (0.59) TAAR1MAOBIDO1AOC3CD274
SCHEMBL6195324 0.81 MPO (0.49) TAAR1MAOBIDO1AOC3CD274
SCHEMBL15870721 0.79 ACHE (0.39) TAAR1IDO1AOC3ACHEP2RX7
SCHEMBL5854222 0.79 GABRA1 (0.46) TAAR1ACHEP2RX7
SCHEMBL214409 0.78 TAAR1 (0.52) TAAR1MAOBPNMTIDO1AOC3
SCHEMBL12065441 0.77 PNMT (0.41) TAAR1MAOBPNMTLOXL2CD274
SCHEMBL1144270 0.77 ACHE (0.37) TAAR1IDO1AOC3ACHEP2RX7
SCHEMBL11919553 0.77 ACHE (0.37) TAAR1IDO1AOC3ACHEP2RX7

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-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT INCYTE CORPORATION 2025-05-29 US disclosed
WO-2025076455-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT Escient Pharmaceuticals Inc. (US) 2025-04-10 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 (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-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT MRGPRX2, MRGPRX1, MRGPRX4 TAAR1 168/4885MAOB 3248/4885PNMT 3178/4885

“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.