SCHEMBL16486396

SCHEMBL16486396

COC(=O)c1cncc(CN2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.50
SYK P43405 1/20 0.48
ATM Q13315 1/20 0.47
ACKR3 P25106 2/20 0.44
FAAH O00519 1/20 0.41
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KLKB1 P03952 2/20 0.40
KLK1 P06870 2/20 0.40
CHKA P35790 1/20 0.40

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
Tert-Butyl Formate SCHEMBL28052879 0.89 CHRM3 (0.47) CHRM3SYKATMACKR3FAAH
SCHEMBL14622529 0.85 CHRM3 (0.46) CHRM3KDM5CKDM4C
SCHEMBL23013506 0.83 ALDH1A1 (0.57) ACKR3FAAHKLKB1KLK1
SCHEMBL16486820 0.83 FAAH (0.47) ATMACKR3FAAHCHKA
SCHEMBL28248650 0.83 KLKB1 (0.46) ATMACKR3FAAHKLKB1KLK1
SCHEMBL1512308 0.80 CHRM3 (0.72) CHRM3
SCHEMBL23013170 0.79 KLKB1 (0.53) ATMACKR3FAAHKLKB1KLK1
SCHEMBL3569140 0.79 CHKA (0.60) CHRM3SYKATMCHKA
SCHEMBL16486773 0.78 ACKR3 (0.46) ATMACKR3FAAH
SCHEMBL29390664 0.78 ACKR3 (0.46) ATMACKR3FAAH

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 10 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
US-11242333-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-08 US disclosed
US-20190152950-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2019-05-23 US disclosed
US-10221161-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-03-05 US disclosed
CN-105683179-B inhibitors of plasma kallikrein 卡尔维斯塔制药有限公司 2018-10-26 CN disclosed
EP-3033336-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2018-05-30 EP disclosed
EP-3033336-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2016-06-22 EP disclosed
US-20160168123-A1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-16 US disclosed
CN-105683179-A Inhibitors of plasma kallikrein 卡尔维斯塔制药有限公司 2016-06-15 CN disclosed
WO-2015022546-A1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-02-19 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 (5 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-20190152950-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 CHRM3 1359/4885SYK 2494/4885ATM 2180/4885
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 CHRM3 1359/4885SYK 2494/4885ATM 2180/4885
US-11242333-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 CHRM3 1359/4885SYK 2494/4885ATM 2180/4885
US-10221161-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 CHRM3 1359/4885SYK 2494/4885ATM 2180/4885
US-20160168123-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, SERPINB1, KLK5 CHRM3 1359/4885SYK 2494/4885ATM 2180/4885

“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.