SCHEMBL4592803

SCHEMBL4592803

CCc1ccc(N(Cc2cnn(CC)c2)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
CYP2C19 P33261 2/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HPGD P15428 2/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
CHRNA7 P36544 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PLA2G1B P04054 1/20 0.31
CYP1A2 P05177 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
SCHEMBL4592578 0.84 MAPT (0.38) MAPTTHRBCHRNA7SMN1; SMN2CYP3A4
SCHEMBL4591651 0.84 CNR2 (0.41) MAPTLMNATHRBALDH1A1KMT2A
SCHEMBL4592454 0.83 CNR2 (0.40) MAPTTHRBHPGDTDP1
SCHEMBL4593113 0.83 MAPT (0.37) MAPTNPSR1THRBHDAC1HDAC2
SCHEMBL4592221 0.82 BCL2A1 (0.40) MAPTTHRBKMT2AMEN1HDAC1
SCHEMBL4592198 0.82 MAPT (0.37) MAPTLMNATHRBALDH1A1KMT2A
SCHEMBL4592344 0.82 MAPT (0.36) MAPTLMNATHRBKMT2AMEN1
SCHEMBL4592536 0.81 PDK1 (0.41) MAPTLMNATHRBALDH1A1KMT2A
SCHEMBL4592219 0.81 MAPT (0.37) MAPTTHRBALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4591425 0.81 MAPT (0.37) MAPTTHRBHDAC1HDAC2SMN1; SMN2

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 13 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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN claimed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP claimed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 WO 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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN 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 MAPT 4871/4885LMNA 4716/4885CYP2C19 1364/4885

“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.