SCHEMBL23769709

SCHEMBL23769709

CCOC(=O)c1cc(C(O)c2ccc(N3CC4CC4C3)nc2C)nn1CC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.37
FAAH O00519 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CCR4 P51679 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 1/20 0.32
IDH1 O75874 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL23769711 0.91 KLKB1 (0.38) KLKB1FAAHSMN1; SMN2CCR4RAB9A
SCHEMBL23769710 0.89 FAAH (0.35) KLKB1FAAHSMN1; SMN2CCR4POLB
SCHEMBL23769708 0.88 FAAH (0.35) KLKB1FAAHSMN1; SMN2POLBRAB9A
SCHEMBL23769712 0.83 KLKB1 (0.34) KLKB1FAAHSMN1; SMN2CCR4RAB9A
SCHEMBL23769416 0.81 KLKB1 (0.47) KLKB1FAAHSMN1; SMN2POLB
SCHEMBL23769707 0.79 FAAH (0.34) KLKB1FAAHSMN1; SMN2POLBRAB9A
SCHEMBL23843236 0.79 KLKB1 (0.45) KLKB1RAB9ATDP1L3MBTL1
SCHEMBL23754027 0.79 KLKB1 (0.45) KLKB1SMN1; SMN2POLBRAB9ATDP1
SCHEMBL23843234 0.78 KLKB1 (0.35) KLKB1FAAHSMN1; SMN2POLBRAB9A
SCHEMBL23843176 0.78 KLKB1 (0.38) KLKB1KDM4EPDE10AKMT2AL3MBTL1

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
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 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 (2 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885FAAH 162/4885SMN1; SMN2 4693/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885FAAH 162/4885SMN1; SMN2 4693/4885

“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.