SCHEMBL22993185

SCHEMBL22993185

COC(=O)c1cnc2c(c1Cl)CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
THRB P10828 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
BLM P54132 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
KLKB1 P03952 1/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.34
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL29407318 1.00 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL22981511 0.85 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL29407288 0.85 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL18779349 0.79 ACHE (0.45) KDM4EKMT2AALDH1A1OPRK1NPC1
SCHEMBL31548848 0.79 KMT2A (0.47) LMNAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL17111933 0.79 KMT2A (0.47) LMNAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL22993421 0.74 ALDH1A1 (0.36) LMNAKDM4EALDH1A1KAT2BBRD9
SCHEMBL22981642 0.72 CYP2C19 (0.43) LMNAKLKB1KDM4EALDH1A1KAT2B
SCHEMBL724553 0.72 NNMT (0.38) LMNACHRM3KDM4EKMT2AALDH1A1
SCHEMBL24253283 0.72 ALDH1A1 (0.34) LMNACHRM3KDM4EALDH1A1KAT2B

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 7 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
CN-114206852-A Plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2022-03-18 CN disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-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 GRIA1 2489/4885GRIA2 3823/4885GRIA3 3456/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 GRIA1 2489/4885GRIA2 3823/4885GRIA3 3456/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 GRIA1 2489/4885GRIA2 3823/4885GRIA3 3456/4885

“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.