SCHEMBL17064901

SCHEMBL17064901

CCCOc1ccc(C(NCC2CC2)c2cccc(N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.48
TSHR P16473 1/20 0.39
ACACB O00763 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DRD2 P14416 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACACA Q13085 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL31067713 1.00 KLKB1 (0.48) KLKB1TSHRACACBALDH1A1SMN1; SMN2
SCHEMBL17064900 0.84 KLKB1 (0.51) KLKB1ACACBALDH1A1SMN1; SMN2ACACA
SCHEMBL17064410 0.81 KLKB1 (0.43) KLKB1TSHRMEN1KMT2AMAPT
SCHEMBL31067441 0.81 KLKB1 (0.43) KLKB1TSHRMEN1KMT2AMAPT
SCHEMBL31067562 0.81 KLKB1 (0.47) KLKB1ALDH1A1
SCHEMBL17065063 0.81 KLKB1 (0.47) KLKB1ALDH1A1
SCHEMBL17073494 0.79 KLKB1 (0.43) KLKB1DRD2CYP2D6
SCHEMBL21507490 0.78 KLKB1 (0.45) KLKB1
SCHEMBL17064442 0.78 KLKB1 (0.44) KLKB1
SCHEMBL17064389 0.78 KLKB1 (0.44) KLKB1TSHRALDH1A1CYP1A2CYP2D6

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
EP-4180424-A1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2023-05-17 EP disclosed
US-20230094305-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 US disclosed
US-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 US disclosed
US-10689346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 US disclosed
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-10-24 US disclosed
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-13 US disclosed
US-10125102-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2018-11-13 US disclosed
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-09-13 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 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 (16 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-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3754/4885ACACB 1579/4885
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3844/4885ACACB 1630/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3754/4885ACACB 1579/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885
US-20230094305-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3684/4885ACACB 1576/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3844/4885ACACB 1630/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3844/4885ACACB 1630/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3684/4885ACACB 1576/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885TSHR 3844/4885ACACB 1630/4885
US-10689346-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885TSHR 3645/4885ACACB 1317/4885

“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.