SCHEMBL15319718

SCHEMBL15319718

CCOC(=O)c1cccnc1-n1ccc(CCl)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ ELANE P08246 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL15320488 0.90 OPRK1 (0.46) OPRK1HSD11B1TSHRHTTL3MBTL1
SCHEMBL15319638 0.81 OPRK1 (0.44) OPRK1HSD11B1TSHRHTTL3MBTL1
SCHEMBL15319893 0.81 USP2 (0.48) OPRK1TSHRMAPK1CAPN1KDM4E
SCHEMBL541213 0.80 CAPN1 (0.58) HTTCAPN1KDM4EMAPTALDH1A1
SCHEMBL15320473 0.79 ALDH1A1 (0.46) OPRK1HSD11B1HTTL3MBTL1CAPN1
SCHEMBL15320152 0.79 OPRK1 (0.42) OPRK1HSD11B1HTTMAPK1CAPN1
SCHEMBL29551266 0.79 HCRTR1 (0.52) OPRK1HSD11B1TSHRHTTL3MBTL1
SCHEMBL17793835 0.79 HCRTR1 (0.52) OPRK1HSD11B1TSHRHTTL3MBTL1
SCHEMBL19481015 0.74 TSHR (0.53) OPRK1HSD11B1TSHRHTTL3MBTL1
SCHEMBL541428 0.74 CAPN1 (0.53) OPRK1HSD11B1TSHRHTTL3MBTL1

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-9150545-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-06 — — US disclosed
US-20150065477-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2015-03-05 — — US disclosed
EP-2834230-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co KG (DE) 2015-02-11 — — EP disclosed
WO-2013149800-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2013-10-10 — — 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 (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-20150065477-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN1, CAPN2, CAPNS1 OPRK1 1615/4885HSD11B1 4219/4885TSHR 3262/4885

“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.

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