SCHEMBL12410210

SCHEMBL12410210

COc1cc(C(=O)N(CCCN2CCN(c3ccccc3)CC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 16/20 0.82
DRD2 P14416 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL13891034 0.92 ACKR3 (0.70) ACKR3DRD2
SCHEMBL3536235 0.91 ACKR3 (0.85) ACKR3
SCHEMBL12410221 0.91 ACKR3 (0.85) ACKR3
SCHEMBL12410207 0.90 ACKR3 (1.00) ACKR3
SCHEMBL3538643 0.90 ACKR3 (1.00) ACKR3
SCHEMBL12410212 0.90 ACKR3 (0.84) ACKR3
SCHEMBL3541045 0.90 ACKR3 (0.84) ACKR3
SCHEMBL3544720 0.90 ACKR3 (0.80) ACKR3LMNA
SCHEMBL12410238 0.90 ACKR3 (0.80) ACKR3LMNA
SCHEMBL13316319 0.90 ACKR3 (0.80) ACKR3LMNA

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 18 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-20110052589-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2011-03-03 US disclosed
US-20110052589-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2011-03-03 US disclosed
US-7871619-B2 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2011-01-18 US disclosed
US-7871619-B2 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2011-01-18 US disclosed
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-7777009-B2 Compositions for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-17 US disclosed
US-7777009-B2 Compositions for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-17 US disclosed
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 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
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
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. 2009-02-26 US disclosed
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. 2009-02-26 US disclosed
US-7253007-B2 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2007-08-07 US disclosed
US-7253007-B2 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2007-08-07 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 (5 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 3/4885DRD2 4564/4885KDM4E 4712/4885
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CXCR3, CCR2, CCL2 ACKR3 7/4885DRD2 4321/4885KDM4E 4658/4885
US-20110052589-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING DISEASES AND CONDITIONS RELATED TO CHEMOKINE RECEPTORS CXCR3, CXCR2, ACKR3 ACKR3 3/4885DRD2 4564/4885KDM4E 4712/4885
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885DRD2 3968/4885KDM4E 4664/4885
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis VEGFA, FLT4, PGF ACKR3 336/4885DRD2 4702/4885KDM4E 2964/4885

“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.