SCHEMBL17870855

SCHEMBL17870855

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCCN3CCCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.58
CCR2 P41597 2/20 0.53
CCR7 P32248 1/20 0.53
RARB P10826 6/20 0.52
CCR3 P51677 1/20 0.51
CCR4 P51679 1/20 0.51
RARA P10276 1/20 0.49
PPARG P37231 1/20 0.38
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL17870854 1.00 CCR5 (0.58) CCR5CCR2CCR7RARBCCR3
SCHEMBL3458880 0.96 CCR5 (0.61) CCR5CCR2CCR7RARBCCR3
SCHEMBL3458877 0.96 CCR5 (0.61) CCR5CCR2CCR7RARBCCR3
SCHEMBL3458606 0.94 CCR5 (0.61) CCR5CCR2CCR7RARBCCR3
SCHEMBL3458608 0.94 CCR5 (0.61) CCR5CCR2CCR7RARBCCR3
SCHEMBL3458607 0.94 CCR5 (0.61) CCR5CCR2CCR7RARBCCR3
SCHEMBL3458968 0.92 CCR5 (0.56) CCR5CCR2CCR7RARBCCR3
SCHEMBL3458969 0.92 CCR5 (0.56) CCR5CCR2CCR7RARBCCR3
SCHEMBL6340959 0.92 CCR5 (0.49) CCR5CCR2CCR7RARBCCR3
SCHEMBL3163971 0.91 CCR5 (0.61) CCR5CCR2CCR7RARBCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2021-06-10 US claimed
CN-112266392-A Process for preparing CENICRIVIROC and related analogs 妥必徕疗治公司 2021-01-26 CN claimed
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2020-07-09 US claimed
US-20200095229-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2020-03-26 US claimed
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS, INC. (US) 2019-09-10 US claimed
EP-3471718-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC Tobira Therapeutics, Inc. (US) 2019-04-24 EP claimed
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 US claimed
WO-2017223155-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS, INC. (US) 2017-12-28 WO claimed
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS INC (US) 2017-12-21 US claimed
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2021-06-10 US disclosed
CN-112266392-A Process for preparing CENICRIVIROC and related analogs 妥必徕疗治公司 2021-01-26 CN disclosed
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2020-07-09 US disclosed
US-20200095229-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS INC (US) 2020-03-26 US disclosed
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS, INC. (US) 2019-09-10 US disclosed
EP-3471718-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC Tobira Therapeutics, Inc. (US) 2019-04-24 EP disclosed
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 US disclosed
WO-2017223155-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS, INC. (US) 2017-12-28 WO disclosed
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS INC (US) 2017-12-21 US disclosed
EP-3237424-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS Tobira Therapeutics, Inc. (US) 2017-11-01 EP disclosed
WO-2016105527-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS, INC. (US) 2016-06-30 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 (6 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-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 CCR5 1/4885CCR2 2/4885CCR7 14/4885
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 CCR5 1/4885CCR2 2/4885CCR7 14/4885
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC CCR5, CCR2, CXCR3 CCR5 1/4885CCR2 2/4885CCR7 12/4885
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 CCR5 1/4885CCR2 2/4885CCR7 12/4885
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 CCR5 1/4885CCR2 2/4885CCR7 12/4885
US-20200095229-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 CCR5 1/4885CCR2 2/4885CCR7 12/4885

“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.