SCHEMBL4592302

SCHEMBL4592302

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(c1ccc(C(C)C)cc1)[C@H]1CCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
XBP1 P17861 1/20 0.39
LMNA P02545 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
BACE1 P56817 1/20 0.35
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
C5AR1 P21730 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GPR183 P32249 1/20 0.33
ADGRF1 Q5T601 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
TAS1R2 Q8TE23 3/20 0.33
GCGR P47871 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL4592271 1.00 RAB9A (0.40) RAB9AALDH1A1HTTXBP1LMNA
SCHEMBL4592274 1.00 RAB9A (0.40) RAB9AALDH1A1HTTXBP1LMNA
SCHEMBL4592414 0.95 TRPM8 (0.34) RAB9AALDH1A1HTTXBP1LMNA
SCHEMBL4592155 0.86 KMT2A (0.33) KMT2A
SCHEMBL4591647 0.86 GCGR (0.34) TRPM8GCGR
SCHEMBL4592080 0.84 KDM4C (0.34) RAB9AKDM4E
SCHEMBL4592284 0.83 TRPM8 (0.35) RAB9AALDH1A1HTTXBP1TRPM8
SCHEMBL12047883 0.82 ALDH1A1 (0.33) RAB9AALDH1A1HTTLMNAKDM4E
SCHEMBL4592437 0.80 C5AR1 (0.39) ALDH1A1HTTC5AR1GPR183ADGRF1
SCHEMBL4592460 0.77 GCGR (0.36) GCGR

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 12 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
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
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 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 RAB9A 2366/4885ALDH1A1 3680/4885HTT 1943/4885

“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.