SCHEMBL22886404

SCHEMBL22886404

Cc1cc(N2CCC(CN)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
AKT2 P31751 3/20 0.45
GSK3B P49841 1/20 0.45
DKK1 O94907 1/20 0.44
BPTF Q12830 1/20 0.43
CDK1 P06493 1/20 0.42
CHRM4 P08173 1/20 0.41
F10 P00742 3/20 0.41
HRH4 Q9H3N8 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
F2 P00734 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
AOC3 Q16853 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 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
SCHEMBL803608 0.88 LDHA (0.47) LDHABPTFCDK1CHRM4F10
Trifluoroacetic Acid SCHEMBL6066399 0.88 LDHA (0.44) LDHABPTFCHRM4F10HRH4
Trifluoroacetic Acid SCHEMBL6066800 0.88 LDHA (0.44) LDHABPTFCHRM4F10HRH4
Trifluoroacetic Acid SCHEMBL6066492 0.88 LDHA (0.44) LDHABPTFCHRM4F10HRH4
Hydrochloric Acid SCHEMBL784498 0.87 LDHA (0.47) LDHABPTFCDK1CHRM4F10
SCHEMBL23174122 0.83 DKK1 (0.45) AKT2GSK3BDKK1BPTFCDK1
SCHEMBL7008838 0.83 HRH4 (0.48) LDHAAKT2GSK3BDKK1CHRM4
SCHEMBL803795 0.82 LDHA (0.55) LDHAF10HRH4ROCK2ROCK1
SCHEMBL6066503 0.82 CDK1 (0.44) AKT2GSK3BDKK1BPTFCDK1
Hydrochloric Acid SCHEMBL16684861 0.81 HRH4 (0.47) LDHAAKT2GSK3BDKK1CHRM4

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-20220281873-A1 COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-09-08 US disclosed
WO-2021004467-A1 COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF 南京明德新药研发有限公司 2021-01-14 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-20220281873-A1 COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF PORCN, SLC6A1, SLC6A11 LDHA 3398/4885AKT2 2407/4885GSK3B 398/4885

“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.