SCHEMBL31757883

SCHEMBL31757883

Brc1ccc2cnn(C3CCN(C4COC4)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.41
▸ LRRK2 Q5S007 11/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR1F P30939 1/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ SCD O00767 2/20 0.36
▸ KMO O15229 1/20 0.35

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
SCHEMBL29041973 0.90 LRRK2 (0.40) PIK3CDLRRK2ABCG2WNT1GSK3B
SCHEMBL21810403 0.88 PIK3CD (0.41) PIK3CDHTR1AHTR1BHTR1FSCD
SCHEMBL31104405 0.83 KMO (0.43) PIK3CDHTR1AHTR1BHTR1FSCD
SCHEMBL16595822 0.83 KMO (0.43) PIK3CDHTR1AHTR1BHTR1FSCD
SCHEMBL19279630 0.82 PIK3CD (0.55) PIK3CDKMO
SCHEMBL31758051 0.81 HTR1A (0.54) PIK3CDHTR1AHTR1BHTR1FSCD
SCHEMBL17677989 0.81 PIK3CD (0.41) PIK3CDHTR1AHTR1BHTR1FSCD
SCHEMBL2980987 0.81 PIK3CD (0.41) PIK3CDHTR1AHTR1BHTR1FSCD
SCHEMBL19698021 0.79 PIK3CD (0.41) PIK3CDHTR1AHTR1BHTR1FSCD
SCHEMBL29042018 0.79 PIK3CD (0.42) PIK3CDLRRK2WNT1GSK3BDYRK1A

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-20260008758-A1 LINEAR DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 — — 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-20260008758-A1 LINEAR DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP3, DPP7, DPP9 PIK3CD 3581/4885LRRK2 2186/4885HTR1A 864/4885

“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.

Send feedback