SCHEMBL4045258

SCHEMBL4045258

NC(=O)c1cc(CCNC[C@H](O)[CH]Cc2ccccc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.41
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ADRB2 P07550 6/20 0.37
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
KCNH2 Q12809 1/20 0.35
ADA P00813 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
RIOX2 Q8IUF8 1/20 0.34
KDM8 Q8N371 1/20 0.34

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
SCHEMBL4040582 0.89 KIT (0.39) NR3C2OPRM1OPRK1OPRD1ANPEP
SCHEMBL4045617 0.78 ADRB1 (0.36) OPRM1OPRK1OPRD1ANPEPERAP2
SCHEMBL4036513 0.78 RPS6KB1 (0.40) ADRB2ADRB1ADRB3KCNH2KDM4E
SCHEMBL4041765 0.77 ADRB3 (0.46) ADRB2ADRB1ADRB3KDM4E
SCHEMBL4044662 0.76 ABCB1 (0.39) OPRM1ANPEPERAP2ADRB2ADRB1
SCHEMBL4037688 0.74 KDM4E (0.46) OPRM1OPRK1OPRD1ANPEPERAP2
SCHEMBL7157672 0.74 CYP1A2 (0.56) ADRB2ADRB1KDM4E
SCHEMBL4042381 0.73 ADRB2 (0.59) OPRM1ADRB2ADRB1ADRB3
SCHEMBL4049170 0.72 MPO (0.39) OPRM1ADRB2ADRB1ADRB3KCNH2
SCHEMBL4985396 0.71 MMP1 (0.45) NR3C2KDM4E

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
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 NR3C2 574/4885OPRM1 2514/4885OPRK1 1008/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS NR3C2 411/4885OPRM1 1162/4885OPRK1 871/4885

“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.