SCHEMBL4124710

SCHEMBL4124710

CN1CCN(CCCN(CCNC(=O)Nc2cccc(Cl)c2)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 5/20 0.48
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CASR P41180 1/20 0.46
▸ CCR3 P51677 2/20 0.46
▸ MCHR1 Q99705 2/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL4128421 0.93 EPHX2 (0.55) PKMDRD2ADRA1ADRD3CNR1
SCHEMBL4123909 0.91 CCR3 (0.52) DRD2CNR1KMT2ATSHREPHX2
SCHEMBL4119727 0.87 EPHX2 (0.55) PKMDRD2ADRA1ADRD3CNR1
SCHEMBL4108824 0.86 CCR3 (0.48) DRD2CNR1MAPTKMT2ATSHR
SCHEMBL4106239 0.84 MCHR1 (0.52) CNR1KMT2AEPHX2TP53LMNA
SCHEMBL4112177 0.83 EPHX2 (0.59) CNR1MAPTKMT2AEPHX2CCR3
SCHEMBL4114482 0.82 EPHX1 (0.51) CNR1MAPTKMT2ATSHREPHX2
SCHEMBL4124705 0.82 EPHX1 (0.51) CNR1MAPTKMT2ATSHREPHX2
SCHEMBL4111553 0.81 CASR (0.53) PKMMAPTKMT2ATSHREPHX2
SCHEMBL5706001 0.80 EPHX1 (0.49) CNR1MAPTKMT2AEPHX2TP53

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 PKM 3183/4885DRD2 1063/4885ADRA1A 3909/4885

“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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