Sugi Predict

Sugi Predict / Compounds / SCHEMBL3458969

SCHEMBL3458969

SCHEMBL3458969

CCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCCN3CCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 11/20 0.56
▸ CCR2 P41597 2/20 0.50
▸ CCR7 P32248 1/20 0.50
▸ CCR3 P51677 1/20 0.48
▸ CCR4 P51679 1/20 0.48
▸ RARB P10826 5/20 0.45
▸ RARA P10276 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ SMAD3 P84022 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3458968 1.00 CCR5 (0.56) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458877 0.95 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458880 0.95 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL5654403 0.94 CCR5 (0.51) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458607 0.93 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458606 0.93 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458608 0.93 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL17870854 0.92 CCR5 (0.58) CCR5CCR2CCR7CCR3CCR4
SCHEMBL17870855 0.92 CCR5 (0.58) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3459581 0.91 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 17 patents. 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 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
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
US-8362058-B2 Bicyclic compound, production and use thereof TOBIRA THERAPEUTICS, INC. (US) 2013-01-29 — — US disclosed
US-20120232028-A1 Bicyclic Compound, Production and Use Thereof TOBIRA THERAPEUTICS, INC. (US) 2012-09-13 — — US disclosed
US-8183273-B2 8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide; HIV infectious diseases, chronic rheumatoid arthritis, autoimmune disease, allergic diseases, ischemic brain cell disease TOBIRA THERAPEUTICS, INC. (US) 2012-05-22 — — US disclosed
EP-2206702-A1 Bicyclic compound, production and use thereof Tobira Therapeutics, Inc. (US) 2010-07-14 — — EP disclosed
US-20090030032-A1 Bicyclic Compound, Production and Use Thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2009-01-29 — — US disclosed
US-20080161287-A1 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2008-07-03 — — US disclosed
US-7371772-B2 Bicyclic compound, production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-13 — — US disclosed
EP-1889839-A1 Bicyclic compound, production and use as HIV inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-02-20 — — 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 (7 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-20090030032-A1 Bicyclic Compound, Production and Use Thereof CCR5, CCR1, CCR2 CCR5 1/4885CCR2 3/4885CCR7 17/4885
US-20120232028-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.