SCHEMBL3459191

SCHEMBL3459191

CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCCO3)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.60
CCR5 P51681 17/20 0.57
CCR7 P32248 1/20 0.44

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
SCHEMBL3459193 1.00 CCR2 (0.60) CCR2CCR5CCR7
SCHEMBL14032001 0.90 CCR2 (0.75) CCR2CCR5CCR7
SCHEMBL3459294 0.88 CCR2 (0.59) CCR2CCR5CCR7
SCHEMBL3459293 0.88 CCR2 (0.59) CCR2CCR5CCR7
SCHEMBL3034760 0.87 CCR5 (0.73) CCR2CCR5
SCHEMBL6341780 0.86 CCR2 (0.58) CCR2CCR5CCR7
SCHEMBL3458953 0.86 CCR5 (0.62) CCR2CCR5CCR7
SCHEMBL3458957 0.86 CCR5 (0.62) CCR2CCR5CCR7
SCHEMBL6343762 0.86 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL3029085 0.86 CCR2 (0.56) CCR2CCR5CCR7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS INC (US) 2020-09-24 US claimed
EP-1728504-B1 EMULSION STABILIZER TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP claimed
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS INC (US) 2020-09-24 US disclosed
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS INC (US) 2020-09-24 US disclosed
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS, INC. (US) 2019-02-07 US disclosed
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-14 US disclosed
EP-1728505-B1 PREPARATION WITH ELEVATED CONTENT TAKEDA PHARMACEUTICAL (JP) 2014-06-04 EP disclosed
US-8741943-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2014-06-03 US disclosed
EP-1889839-B1 Bicyclic compound, production and use as HIV inhibitors TOBIRA THERAPEUTICS INC (US) 2013-11-06 EP disclosed
EP-1728504-B1 EMULSION STABILIZER TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8362058-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2013-01-29 US disclosed
EP-1889839-A1 Bicyclic compound, production and use as HIV inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-02-20 EP disclosed
US-20080031942-A1 Solid Preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 US disclosed
EP-1825866-A1 SOLID PREPARATION Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
EP-1728504-A1 EMULSION STABILIZER Takeda Pharmaceutical Company Limited (JP) 2006-12-06 EP disclosed
EP-1728505-A1 PREPARATION WITH ELEVATED CONTENT Takeda Pharmaceutical Company Limited (JP) 2006-12-06 EP disclosed
US-20040259876-A1 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. 2004-12-23 US disclosed
EP-1423376-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
WO-2003014105-A9 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-20 WO disclosed
WO-2003014105-A1 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 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 (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-20040259876-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 CCR2 3/4885CCR5 1/4885CCR7 17/4885
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 CCR2 3/4885CCR5 1/4885CCR7 17/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 CCR2 3/4885CCR5 1/4885CCR7 17/4885
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 CCR2 3/4885CCR5 1/4885CCR7 17/4885
US-20080031942-A1 Solid Preparation PGA5, ABCG2, ACMSD CCR2 4735/4885CCR5 4503/4885CCR7 4113/4885

“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.