SCHEMBL3117490

SCHEMBL3117490

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2COc2ccc(F)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.42
MCHR1 Q99705 4/20 0.39
CHRM1 P11229 1/20 0.39
MAPK14 Q16539 4/20 0.38
CYP2C9 P11712 2/20 0.38
TTK P33981 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
DPP4 P27487 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3109658 0.93 ATF4 (0.41) GABRA5MAPK14CYP2C9TTKSLC6A5
SCHEMBL3107846 0.93 ALDH1A1 (0.40) GABRA5MAPK14CYP2C9RXFP1SLC6A5
SCHEMBL3105322 0.92 GABRA5 (0.42) GABRA5MAPK14CYP2C9RXFP1SLC6A5
SCHEMBL3120291 0.91 GPR119 (0.39) GABRA5MCHR1CHRM1MAPK14CYP2C9
SCHEMBL3100891 0.90 GABRA5 (0.47) GABRA5CHRM1MAPK14RXFP1SLC6A5
SCHEMBL3108727 0.90 GABRA5 (0.44) GABRA5CHRM1MAPK14CYP2C9TTK
SCHEMBL3099680 0.89 GABRA5 (0.43) GABRA5CYP2C9TTKRXFP1
SCHEMBL3104755 0.89 GABRA5 (0.42) GABRA5CHRM1MAPK14CYP2C9TTK
SCHEMBL3104607 0.89 TP53 (0.46) RXFP1SLC6A5
SCHEMBL3111475 0.88 SLC6A5 (0.45) GABRA5MCHR1RXFP1SLC6A5

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 GABRA5 755/4885MCHR1 254/4885CHRM1 139/4885

“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.