SCHEMBL15319638

SCHEMBL15319638

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ TBXAS1 P24557 1/20 0.40
▸ ELANE P08246 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CAPN1 P07384 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 0.83 OPRK1 (0.46) OPRK1TSHRHTTHSD11B1TBXAS1
SCHEMBL15319718 0.81 OPRK1 (0.44) OPRK1TSHRHTTHSD11B1TBXAS1
SCHEMBL541213 0.80 CAPN1 (0.58) HTTALDH1A1MAPTHPGDCAPN1
SCHEMBL17793835 0.79 HCRTR1 (0.52) OPRK1TSHRHTTHSD11B1ALDH1A1
SCHEMBL29551266 0.79 HCRTR1 (0.52) OPRK1TSHRHTTHSD11B1ALDH1A1
SCHEMBL15319893 0.74 USP2 (0.48) OPRK1TSHRALDH1A1MAPTMAPK1
SCHEMBL19481015 0.74 TSHR (0.53) OPRK1TSHRHTTHSD11B1TBXAS1
SCHEMBL541428 0.74 CAPN1 (0.53) OPRK1TSHRHTTHSD11B1ELANE
SCHEMBL2085783 0.74 TSHR (0.56) TSHRHTTELANEALDH1A1L3MBTL1
SCHEMBL19481014 0.74 TSHR (0.49) OPRK1TSHRHTTHSD11B1ELANE

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 1615/4885TSHR 3262/4885HTT 840/4885

“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