SCHEMBL17696428

SCHEMBL17696428

CCN(CC)c1ncc(C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ S100B P04271 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12250799 0.80 NOS3 (0.43) ALOX15SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23570033 0.79 PGK1 (0.35) ALOX15SMN1; SMN2KMT2A
SCHEMBL21546435 0.79 GBA1 (0.46) ALOX15SMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL17778679 0.78 NOS3 (0.40) ALDH1A1CCR1CCR5CCR8NOS3
SCHEMBL12810688 0.77 NOS3 (0.36) ALOX15SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL17532955 0.77 PGK1 (0.39) ALOX15SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20797650 0.77 ALDH1A1 (0.43) ALOX15SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL17693920 0.77 CRHR1 (0.34) ALOX15SMN1; SMN2ALDH1A1HTTTERT
SCHEMBL19447026 0.70 CRHR1 (0.40) NOS3NOS1NOS2
SCHEMBL4132951 0.69 NOS3 (0.35) SMN1; SMN2CCR1CCR5CCR8NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 — — EP disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 — — EP disclosed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 — — EP disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 — — 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 (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-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 ALOX15 730/4885SMN1; SMN2 2799/4885MEN1 341/4885

“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.

Send feedback