SCHEMBL1638754

SCHEMBL1638754

CCCN(CCC)CCCCN(CC(=O)OC)Cc1ccc(CN(C(C)c2ncc[nH]2)C(CC(=O)OC)c2ncc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.41
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HCRTR2 O43614 1/20 0.31
FPR2 P25090 2/20 0.31
CTSD P07339 1/20 0.30

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
SCHEMBL1637342 0.93 CXCR4 (0.44) CXCR4PPARGPPARAHCRTR2FPR2
SCHEMBL1637899 0.86 CXCR4 (0.44) CXCR4PPARGPPARAFPR2
SCHEMBL1638011 0.84 CXCR4 (0.42) CXCR4PPARGPPARAFPR2
SCHEMBL1638559 0.84 CXCR4 (0.48) CXCR4FPR2CTSD
SCHEMBL1637253 0.82 CXCR4 (0.48) CXCR4PPARGPPARAFPR2
SCHEMBL1637114 0.79 CXCR4 (0.56) CXCR4CTSD
SCHEMBL1638097 0.77 CXCR4 (0.47) CXCR4CTSD
SCHEMBL2189971 0.76 CXCR4 (0.45) CXCR4PPARGPPARACTSD
SCHEMBL1205966 0.75 DRD4 (0.51) CXCR4
SCHEMBL1636559 0.75 CXCR4 (0.43) CXCR4PPARGPPARACTSD

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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 CXCR4 86/4885PPARG 2728/4885PPARA 2864/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885PPARG 2218/4885PPARA 2269/4885

“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.