SCHEMBL6520807

SCHEMBL6520807

CC(C)CN1CCC/C(C(=O)O)=C\c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.41
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HIF1A Q16665 1/20 0.39
PIK3CD O00329 2/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAPT P10636 4/20 0.35
CYP2C9 P11712 3/20 0.35
CCR5 P51681 4/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL6525034 1.00 LMNA (0.41) LMNAPMP22NPSR1GFERCYP2D6
SCHEMBL6516899 0.93 LMNA (0.45) LMNAPMP22NPSR1GFERCYP2D6
SCHEMBL3177372 0.87 CYP2C9 (0.38) LMNAPMP22NPSR1GFERCYP2D6
SCHEMBL3177367 0.87 CYP2C9 (0.38) LMNAPMP22NPSR1GFERCYP2D6
SCHEMBL6516854 0.86 KMT2A (0.46) LMNAPMP22NPSR1GFERHDAC1
SCHEMBL6516859 0.86 KMT2A (0.46) LMNAPMP22NPSR1GFERHDAC1
SCHEMBL3459972 0.84 HDAC1 (0.42) LMNAPMP22NPSR1GFERCYP2D6
SCHEMBL3459969 0.84 HDAC1 (0.42) LMNAPMP22NPSR1GFERCYP2D6
SCHEMBL3459970 0.84 HDAC1 (0.42) LMNAPMP22NPSR1GFERCYP2D6
SCHEMBL17870841 0.83 PIK3CD (0.42) LMNAPIK3CDKDM4EALDH1A1GAA

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-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc TOBIRA THERAPEUTICS, INC. (US) 2019-09-10 US claimed
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2018-11-15 US 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
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS TOBIRA THERAPEUTICS INC (US) 2020-07-09 US 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
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS INC (US) 2017-12-21 US disclosed
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC TOBIRA THERAPEUTICS INC (US) 2017-12-21 US disclosed
EP-1557669-A1 Gas sensing material and gas inspecting method FUJI PHOTO FILM CO., LTD. (JP) 2005-07-27 EP disclosed
US-20050107606-A1 Process for producing optically active sulfoxide derivative TATKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
EP-1484322-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2004-12-08 EP 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-20050107606-A1 Process for producing optically active sulfoxide derivative CCR5, OPRM1, CXCR4 LMNA 4466/4885PMP22 3390/4885NPSR1 320/4885
US-20180327428-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 LMNA 3412/4885PMP22 3683/4885NPSR1 878/4885
US-20200216476-A1 PROCESS OF MAKING CENICRIVIROC AND RELATED ANALOGS CCR5, CCR2, CCR3 LMNA 3412/4885PMP22 3683/4885NPSR1 878/4885
US-20170362207-A1 PURIFIED CENICRIVIROC AND PURIFIED INTERMEDIATES FOR MAKING CENICRIVIROC CCR5, CCR2, CXCR3 LMNA 3225/4885PMP22 3335/4885NPSR1 2195/4885
US-20210171504-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 LMNA 3225/4885PMP22 3335/4885NPSR1 2195/4885
US-10407411-B2 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 LMNA 3225/4885PMP22 3335/4885NPSR1 2195/4885
US-20200095229-A1 Purified cenicriviroc and purified intermediates for making cenicriviroc CCR5, CCR2, CXCR3 LMNA 3225/4885PMP22 3335/4885NPSR1 2195/4885

“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.