SCHEMBL5155360

SCHEMBL5155360

Cc1cc(C(=O)O)cnc1OC[C@@H]1C[C@H](Oc2ccc3ccccc3c2)CN1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.35
PDE10A Q9Y233 1/20 0.35
RAB9A P51151 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
PTPN7 P35236 1/20 0.33
GABRA5 P31644 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MGAM O43451 1/20 0.33
MCL1 Q07820 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
SCHEMBL7271164 0.77 KMT2A (0.40) PTPN7
SCHEMBL2432240 0.77 MAPT (0.43) RAB9A
SCHEMBL27813547 0.68 GRIK1 (0.47) PTPN7
SCHEMBL3182602 0.68 GRIK1 (0.47) PTPN7
SCHEMBL7345824 0.68 GRIK1 (0.47) PTPN7
SCHEMBL2433390 0.68 MAPT (0.53) RAB9A
SCHEMBL2433389 0.68 MAPT (0.53) RAB9A
SCHEMBL15350740 0.68 XDH (0.41)
SCHEMBL12571288 0.67 HRH3 (0.43)
SCHEMBL14263801 0.66 PLA2G4B (0.43) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US 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 (2 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MRGPRX4 631/4885PDE10A 3133/4885RAB9A 2282/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MRGPRX4 564/4885PDE10A 2870/4885RAB9A 1984/4885

“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.