SCHEMBL4125813

SCHEMBL4125813

CC(C)N(CCN(CCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.46
▸ MCHR1 Q99705 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 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
SCHEMBL4119233 0.89 UTS2R (0.46) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4124390 0.87 MCHR1 (0.54) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4111552 0.86 MEN1 (0.56) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4119975 0.84 UTS2R (0.42) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4120374 0.83 MCHR1 (0.53) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4106222 0.82 MEN1 (0.52) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4114155 0.82 MEN1 (0.49) GHSRMCHR1MEN1KMT2AMAPT
SCHEMBL4119984 0.82 MEN1 (0.51) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4112236 0.82 CNR1 (0.56) MCHR1MEN1KMT2ACA1CA2
SCHEMBL4114315 0.81 EPHX2 (0.50) MAPT

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 GHSR 3777/4885MCHR1 4128/4885MEN1 4167/4885

“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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