SCHEMBL3540145

SCHEMBL3540145

COc1cc(C(=O)N(C/C(C)=C/c2ccccc2)C[C@H]2CCCN2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 19/20 0.62
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3540150 1.00 ACKR3 (0.62) ACKR3POLBPKM
SCHEMBL3587506 1.00 ACKR3 (0.62) ACKR3POLBPKM
SCHEMBL3540147 1.00 ACKR3 (0.62) ACKR3POLBPKM
SCHEMBL13166392 1.00 ACKR3 (0.62) ACKR3POLBPKM
SCHEMBL3587502 1.00 ACKR3 (0.62) ACKR3POLBPKM
SCHEMBL12766927 0.95 ACKR3 (0.56) ACKR3
SCHEMBL3536037 0.91 ACKR3 (0.69) ACKR3
SCHEMBL3539904 0.91 ACKR3 (0.62) ACKR3
SCHEMBL3536040 0.91 ACKR3 (0.69) ACKR3
SCHEMBL13316291 0.91 ACKR3 (0.69) ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165164-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2011-07-07 US disclosed
US-20110165164-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2011-07-07 US disclosed
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
EP-1606251-B1 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX INC (US) 2009-04-08 EP disclosed
EP-1606251-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR ChemoCentryx Inc (US) 2005-12-21 EP disclosed
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CHEMOCENTRYX, INC. 2004-09-02 US disclosed
WO-2004058705-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX (US) 2004-07-15 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 (3 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-20110165164-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CXCR3, CXCR2, ACKR3 ACKR3 3/4885POLB 2678/4885PKM 2734/4885
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885POLB 4145/4885PKM 4318/4885
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885POLB 4145/4885PKM 4318/4885

“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.