SCHEMBL3102880

SCHEMBL3102880

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CNCCCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
OPRK1 P41145 1/20 0.41
TGM2 P21980 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EPHX1 P07099 1/20 0.39
MLYCD O95822 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 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
SCHEMBL3115214 0.95 OPRM1 (0.46) OPRM1OPRD1MAPK11MAPK14OPRK1
SCHEMBL3115302 0.91 MAPK11 (0.45) OPRM1OPRD1MAPK11MAPK14OPRK1
SCHEMBL3101218 0.91 OPRM1 (0.46) OPRM1OPRD1MAPK11MAPK14TGM2
SCHEMBL3112386 0.90 OPRM1 (0.45) OPRM1OPRD1MAPK11MAPK14TGM2
SCHEMBL3110374 0.89 OPRM1 (0.44) OPRM1OPRD1MAPK11MAPK14MAPT
SCHEMBL3120900 0.89 RAB9A (0.46) OPRM1OPRD1TGM2MAPTRAB9A
SCHEMBL3105073 0.86 BRD4 (0.44) OPRM1OPRD1MAPK11MAPK14MAPT
SCHEMBL3102920 0.85 POLB (0.49) OPRM1OPRD1MAPK11MAPK14TGM2
SCHEMBL3120162 0.85 ALDH1A1 (0.42) OPRM1OPRD1MAPK11MAPK14MAPT
SCHEMBL3113673 0.85 MAPK11 (0.50) MAPK11MAPK14MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 OPRM1 610/4885OPRD1 694/4885MAPK11 2236/4885

“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.