SCHEMBL13197816

SCHEMBL13197816

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cn(CC2CC2)c(C(=O)NCCCO)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.45
FAAH O00519 1/20 0.45
MCHR1 Q99705 2/20 0.44
CCR2 P41597 1/20 0.43
ABL1 P00519 3/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX1 P07099 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 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
SCHEMBL13197916 0.93 MCHR1 (0.48) EPHX2FAAHMCHR1CCR2EPHX1
SCHEMBL2569969 0.90 MCHR1 (0.44) EPHX2FAAHMCHR1CCR2ABL1
SCHEMBL13197861 0.89 MCHR1 (0.43) EPHX2FAAHMCHR1CCR2EPHX1
SCHEMBL13197933 0.89 EPHX2 (0.45) EPHX2FAAHMCHR1CCR2EPHX1
SCHEMBL13197986 0.88 IGF1R (0.42) EPHX2FAAHMCHR1MEN1CYP3A4
SCHEMBL13197987 0.87 MCHR1 (0.44) EPHX2FAAHMCHR1EPHX1MEN1
SCHEMBL13197865 0.87 EPHX2 (0.58) EPHX2CCR2ABL1KCNH2MAPT
SCHEMBL13197815 0.87 NAMPT (0.45) MCHR1MEN1CYP3A4CYP2D6MAPT
SCHEMBL13197862 0.87 MCHR1 (0.45) EPHX2FAAHMCHR1EPHX1MEN1
SCHEMBL13197857 0.87 MCHR1 (0.41) EPHX2FAAHMCHR1CCR2

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-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 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 (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-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds IRF3, EIF2AK2, ZC3HAV1 EPHX2 3922/4885FAAH 3850/4885MCHR1 4719/4885

“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.