SCHEMBL22993455

SCHEMBL22993455

CC(C)Cc1c2c(nn1C)CN(C)CC2

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.32
NMT1 P30419 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24253310 0.87 CYP2C19 (0.38) CYP2C19NMT1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24253285 0.75 CYP2C19 (0.34) CYP2C19ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL22993444 0.72 CYP2C19 (0.37) CYP2C19ALDH1A1HPGDKDM4EGAA
SCHEMBL22993457 0.71 NMT1 (0.38) CYP2C19NMT1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16089598 0.71
SCHEMBL22993451 0.68 CYP2C19 (0.41) CYP2C19ALDH1A1HPGDGAALMNA
SCHEMBL24253505 0.68 NMT1 (0.38) CYP2C19NMT1
SCHEMBL24253492 0.66 KLKB1 (0.33) CYP2C19ALDH1A1HPGDGAALMNA
SCHEMBL24253296 0.66 GAA (0.34) CYP2C19ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL16123851 0.61 CYP2C19 (0.36) CYP2C19ALDH1A1HPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 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 (3 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 CYP2C19 944/4885NMT1 1774/4885ALDH1A1 1622/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 CYP2C19 944/4885NMT1 1774/4885ALDH1A1 1622/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 CYP2C19 944/4885NMT1 1774/4885ALDH1A1 1622/4885

“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.