Sugi Predict

Sugi Predict / Compounds / SCHEMBL22040174

SCHEMBL22040174

SCHEMBL22040174

CCC(C)c1ncccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12388005 1.00 CYP2D6 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL469179 1.00 CYP2D6 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL19852986 0.85 KCNH2 (0.38) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL18793682 0.83 TRPM8 (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL9963324 0.81 CYP2D6 (0.40) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL31305968 0.79 LMNA (0.39) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL30682747 0.79 ALOX5AP (0.36) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL30682761 0.79 ALOX5AP (0.36) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL30682597 0.79 ALOX5AP (0.36) CYP2D6CHRM1HRH1KCNH2TRPM8
SCHEMBL1333777 0.79 CYP2D6 (0.36) CYP2D6CHRM1HRH1KCNH2TRPM8

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-11591335-B2 Bicyclic pesticidal compounds BASF SE (DE) 2023-02-28 — — US disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 — — US disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 — — US disclosed
US-20200165255-A1 Bicyclic Pesticidal Compounds BASF SE (DE) 2020-05-28 — — 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 (4 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-20200165255-A1 Bicyclic Pesticidal Compounds DDT, ACHE, CYCS CYP2D6 616/4885CHRM1 1224/4885HRH1 3476/4885
US-11591335-B2 Bicyclic pesticidal compounds DDT, ACHE, CYCS CYP2D6 616/4885CHRM1 1224/4885HRH1 3476/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CYP2D6 3436/4885CHRM1 3934/4885HRH1 1287/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 CYP2D6 3804/4885CHRM1 4749/4885HRH1 1657/4885

“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.