SCHEMBL3458906

SCHEMBL3458906

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCCN3CC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.61
CCR2 P41597 5/20 0.61
CCR7 P32248 1/20 0.61
CCR3 P51677 1/20 0.58
CCR4 P51679 1/20 0.58

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
SCHEMBL3458902 1.00 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6349226 0.97 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6344586 0.94 CCR2 (0.59) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458953 0.94 CCR5 (0.62) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458957 0.94 CCR5 (0.62) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3039360 0.91 CCR5 (0.58) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6343826 0.91 CCR5 (0.56) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3029085 0.91 CCR2 (0.56) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6340941 0.90 CCR5 (0.58) CCR5CCR2CCR7CCR3CCR4
Hydrochloric Acid SCHEMBL6350443 0.90 CCR5 (0.57) CCR5CCR2CCR7CCR3CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS, INC. (US) 2019-02-07 US claimed
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-14 US claimed
EP-1889839-B1 Bicyclic compound, production and use as HIV inhibitors TOBIRA THERAPEUTICS INC (US) 2013-11-06 EP claimed
EP-1728504-B1 EMULSION STABILIZER TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP claimed
US-20080161287-A1 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2008-07-03 US claimed
EP-1889839-A1 Bicyclic compound, production and use as HIV inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-02-20 EP claimed
US-20040259876-A1 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. 2004-12-23 US claimed
EP-1423376-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP claimed
WO-2003014105-A1 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 WO claimed
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-1728505-A1 PREPARATION WITH ELEVATED CONTENT Takeda Pharmaceutical Company Limited (JP) 2006-12-06 EP disclosed
EP-1728504-A1 EMULSION STABILIZER 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 CCR5 1/4885CCR2 3/4885CCR7 17/4885
US-20160008326-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 CCR5 1/4885CCR2 3/4885CCR7 17/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 CCR5 1/4885CCR2 3/4885CCR7 17/4885
US-20200297700-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 CCR5 1/4885CCR2 3/4885CCR7 17/4885
US-20080161287-A1 Bicyclic compound, production and use thereof CCR5, CCR1, CCR2 CCR5 1/4885CCR2 3/4885CCR7 17/4885

“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.