SCHEMBL20118830

SCHEMBL20118830

N=C(NC(=O)OCCCCCO)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4D Q08499 1/20 0.42
ACHE P22303 6/20 0.39
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL7057167 0.88 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL7061424 0.88 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL20118671 0.84 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL20118660 0.81 LMNA (0.49) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL20118444 0.80 CA12 (0.49) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL20118526 0.78 LMNA (0.57) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL20118448 0.78 LMNA (0.46) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL20118355 0.78 PHLPP2 (0.62) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL20118291 0.77 LMNA (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL23588775 0.77 CYP3A4 (0.41) NPC1RAB9AMAPTALDH1A1LMNA

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-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
WO-2018081513-A1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2018-05-03 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-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 NPC1 969/4885RAB9A 2541/4885MAPT 3099/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 NPC1 969/4885RAB9A 2541/4885MAPT 3099/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 NPC1 969/4885RAB9A 2541/4885MAPT 3099/4885

“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.