SCHEMBL4911474

SCHEMBL4911474

COc1ccc(C(CNC(=O)Cc2cc(C)cc(C)c2)N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.73
CCR3 P51677 12/20 0.70

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
SCHEMBL7938485 0.85 TACR1 (0.86) TACR1CCR3
SCHEMBL7932634 0.85 TACR1 (1.00) TACR1CCR3
SCHEMBL6712492 0.82 CCR3 (1.00) CCR3
SCHEMBL18840886 0.81 CCR3 (1.00) CCR3
SCHEMBL7936410 0.80 TACR1 (1.00) TACR1CCR3
SCHEMBL7934599 0.78 TACR1 (1.00) TACR1CCR3
SCHEMBL7934798 0.78 TACR1 (1.00) TACR1
SCHEMBL18840797 0.78 CCR3 (1.00) CCR3
SCHEMBL18840874 0.77 CCR3 (1.00) TACR1CCR3
SCHEMBL18840843 0.76 CCR3 (1.00) CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171749-A1 1-Phenyl-1,2-Diaminoethane Derivatives As Modulators Of The Chemokine Receptor Activity DOLLINGER HORST 2008-07-17 US disclosed
US-20040063779-A1 1-Phenyl-1,2-diaminoethane derivatives as modulators of the chemokine receptor activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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-20080171749-A1 1-Phenyl-1,2-Diaminoethane Derivatives As Modulators Of The Chemokine Receptor Activity CCR1, CCR3, CCR2 TACR1 143/4885CCR3 2/4885
US-20040063779-A1 1-Phenyl-1,2-diaminoethane derivatives as modulators of the chemokine receptor activity CCR1, CCR3, CCR2 TACR1 69/4885CCR3 2/4885

“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.