SCHEMBL2681871

SCHEMBL2681871

CCOC(=O)c1nc(C)n(C2CCCC2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
OGFRL1 Q5TC84 6/20 0.47
OPRM1 P35372 4/20 0.47
OPRK1 P41145 4/20 0.47
OPRD1 P41143 3/20 0.47
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
ELANE P08246 1/20 0.43
GRK6 P43250 1/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL5038584 0.94 GRK6 (0.44) CNR2OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6026299 0.85 GRK6 (0.39) CNR2OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6026302 0.76 GRK6 (0.33) CNR2OGFRL1OPRM1OPRK1OPRD1
SCHEMBL8048488 0.75 OGFRL1 (0.47) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL14886782 0.73 HPGD (0.38) ALDH1A1ELANEKDM4EKMT2AHSD17B10
SCHEMBL12926023 0.73 KMT2A (0.46) ALDH1A1ELANEKDM4EKMT2AHPGD
SCHEMBL4734637 0.73 CNR2 (0.48) CNR2OGFRL1OPRM1OPRK1OPRD1
SCHEMBL7474321 0.70 ALDH1A1 (0.47) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL15998950 0.70 NOTUM (0.55) ALDH1A1TSHRMAPK1KDM4EHSD17B10
SCHEMBL11395888 0.70 ALDH1A1 (0.46) OGFRL1OPRM1OPRK1OPRD1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 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-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A CNR2 27/4885OGFRL1 4438/4885OPRM1 798/4885

“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.