SCHEMBL4592839

SCHEMBL4592839

CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(OC)nc1)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.44
HDAC1 Q13547 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.33
QPCT Q16769 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
ACACB O00763 1/20 0.32
CHRM4 P08173 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CSF1R P07333 1/20 0.31
C5AR1 P21730 1/20 0.31

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
SCHEMBL4592247 0.88 OXTR (0.42) OXTRHDAC1MEN1KMT2ARAB9A
SCHEMBL4592679 0.88 OXTR (0.35) OXTR
SCHEMBL4592440 0.87 BCL2A1 (0.40) MEN1KMT2ARAB9ASMN1; SMN2TP53
SCHEMBL4592431 0.84 CNR2 (0.38) TP53POLB
SCHEMBL14620646 0.81 OXTR (0.33) OXTRACACBTP53POLB
SCHEMBL855492 0.81 OXTR (0.48) OXTRMEN1KMT2ATAS2R14SMN1; SMN2
SCHEMBL5049244 0.80 MEN1 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL4591943 0.80 PDK2 (0.38) TP53
SCHEMBL4592661 0.80 PDK1 (0.33) HDAC1RAB9AQPCTSMN1; SMN2
SCHEMBL4592189 0.79 C5AR1 (0.37) MEN1KMT2ARAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US claimed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 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-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 OXTR 322/4885HDAC1 2567/4885MEN1 3390/4885

“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.