SCHEMBL4128123

SCHEMBL4128123

O=C(NCCCN(CCN1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.59
▸ CCR3 P51677 2/20 0.53
▸ HTR3A P46098 2/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ FPR3 P25089 2/20 0.48
▸ FPR2 P25090 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ POLB P06746 1/20 0.47

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
SCHEMBL4123912 0.94 EPHX2 (0.61) EPHX2CCR3HTR3ACA1CA2
SCHEMBL4112177 0.92 EPHX2 (0.59) EPHX2CCR3HTR3ACA1CA2
SCHEMBL4119727 0.90 EPHX2 (0.55) EPHX2CCR3MEN1KMT2ACNR1
SCHEMBL4119717 0.90 EPHX2 (0.57) EPHX2CCR3HTR3ACA1CA2
SCHEMBL4124304 0.89 MEN1 (0.58) EPHX2CCR3HTR3ACA1CA2
SCHEMBL4107145 0.89 CNR1 (0.60) EPHX2CCR3CA1CA2CA7
SCHEMBL4113123 0.89 CNR1 (0.60) EPHX2CCR3CA1CA2CA7
SCHEMBL4112231 0.88 CNR1 (0.59) EPHX2CA1CA2CA7MEN1
SCHEMBL4118371 0.87 EPHX2 (0.54) EPHX2CCR3HTR3ACA1CA2
SCHEMBL4118060 0.86 EPHX2 (0.59) EPHX2CCR3CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS EPHX2 1614/4885CCR3 675/4885HTR3A 4032/4885

“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.

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