SCHEMBL22390478

SCHEMBL22390478

O=C(Cc1ccc(CN2C[C@@H]3CNCCN3C2=O)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ TACR1 P25103 1/20 0.33
▸ HTR2C P28335 9/20 0.32
▸ HTR2B P41595 9/20 0.32
▸ HTR2A P28223 8/20 0.32
▸ DPP4 P27487 3/20 0.32
▸ FAAH O00519 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ HPN P05981 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ HGFAC Q04756 1/20 0.32
▸ ST14 Q9Y5Y6 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MLNR O43193 3/20 0.31

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
SCHEMBL22390336 0.86 LIPE (0.36) SCN9AHTR2CHTR2BHTR2AF2
Trifluoroacetic Acid SCHEMBL22390477 0.85 ENPP2 (0.39) SCN9ATACR1HTR2CHTR2BHTR2A
SCHEMBL20942315 0.82 ENPP2 (0.43) HTR2CHTR2BHTR2ADPP4F2
Trifluoroacetic Acid SCHEMBL31655669 0.81 F10 (0.39) TACR1HTR2CHTR2BHTR2ADPP4
SCHEMBL21751173 0.78 SCN9A (0.33) SCN9AHTR2CHTR2BHTR2A
SCHEMBL17062837 0.77 F10 (0.42) HTR2CHTR2BHTR2ADPP4F2
SCHEMBL29516262 0.75 SIGMAR1 (0.47) HTR2CHTR2BHTR2AF2F10
SCHEMBL31495468 0.75 GAA (0.48) HTR2CHTR2BHTR2ADPP4
SCHEMBL20616288 0.75 F10 (0.40) HTR2CHTR2BHTR2AF2F10
SCHEMBL20616290 0.75 F10 (0.40) HTR2CHTR2BHTR2AF2F10

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-11261190-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-03-01 — — US disclosed
US-20200283445-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-10 — — 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-20200283445-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE TPMT, DPYD, SLC10A1 SCN9A 3111/4885TACR1 1658/4885HTR2C 2601/4885
US-11261190-B2 Dihydropyrimidine compounds and uses thereof in medicine DPYD, TPMT, SLC10A1 SCN9A 2932/4885TACR1 1545/4885HTR2C 2730/4885

“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.

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