SCHEMBL29390664

SCHEMBL29390664

COC(=O)c1cncc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.46
FAAH O00519 2/20 0.43
KDM1A O60341 2/20 0.42
TBK1 Q9UHD2 3/20 0.42
PKM P14618 1/20 0.41
NR1H2 P55055 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL16486773 1.00 ACKR3 (0.46) ACKR3FAAHKDM1ATBK1PKM
SCHEMBL2619093 0.87 KDM1A (0.54) KDM1ATBK1PKMNR1H2HDAC1
SCHEMBL16486820 0.84 FAAH (0.47) ACKR3FAAHKDM1AATMALDH1A1
SCHEMBL30525131 0.83 MEN1 (0.53) FAAHTBK1HDAC1HDAC6ALDH1A1
SCHEMBL1020384 0.83 MEN1 (0.53) FAAHTBK1HDAC1HDAC6ALDH1A1
SCHEMBL13985662 0.82 ADORA2B (0.49) KDM1ATBK1GPR119VEGFAEGLN1
SCHEMBL15205904 0.82 GPR119 (0.43) TBK1GPR119VEGFAEGLN1ALDH1A1
SCHEMBL16346589 0.82 HDAC1 (0.58) NR1H2HDAC1HDAC6VEGFAEGLN1
SCHEMBL28052878 0.82 ACKR3 (0.44) ACKR3FAAHKDM1AATMALDH1A1
SCHEMBL209719 0.80 GPR119 (0.47) TBK1GPR119VEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2022-05-19 US disclosed
CN-114286820-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-05 CN disclosed
US-11242333-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-08 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 (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-20220153724-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 ACKR3 260/4885FAAH 1269/4885KDM1A 1208/4885
US-11242333-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 ACKR3 260/4885FAAH 1269/4885KDM1A 1208/4885

“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.