SCHEMBL31019207

SCHEMBL31019207

c1ccc2nc(CC3CCOCC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL16654345 0.85 FAAH (0.56) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3097499 0.83 FAAH (0.54) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7504454 0.81 FAAH (0.52) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL9219706 0.80 CYSLTR1 (0.60) CYSLTR2CYSLTR1PDE10A
Hydrochloric Acid SCHEMBL16825153 0.79 FAAH (0.51) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL30824491 0.77 CYSLTR1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31428579 0.77 KDM1A (0.53) FAAHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20515340 0.75 FAAH (0.47) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL31019230 0.74 USP30 (0.56) KDM4EPDE10ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28456110 0.73 KDM4E (0.48) FAAHKDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PFIZER INC. (US) 2024-07-25 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 (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-20240245673-A1 Papain-like protease (PLpro) inhibitors PREP, PEPD, ACE FAAH 476/4885KDM4E 4373/4885ALDH1A1 2220/4885

“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.