SCHEMBL3442140

SCHEMBL3442140

C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HSD17B10 Q99714 1/20 0.40
PREP P48147 4/20 0.38
NR1H2 P55055 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.33
BTK Q06187 1/20 0.33
ABCB1 P08183 1/20 0.33
EPHX2 P34913 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL25552167 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL13146707 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL15820005 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL15038839 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL12146652 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL17598292 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL24652905 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL12968428 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL18018239 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD17B10PREP
SCHEMBL21441809 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD17B10PREP

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-10385097-B2 Ether compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-20 US disclosed
US-10000516-B2 Phosphonate compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
US-7812178-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-12 US disclosed
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 US disclosed
US-7459465-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-12-02 US disclosed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 US disclosed
US-7220759-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-05-22 US disclosed
US-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 US 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 (13 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CHRM2 4738/4885CHRM1 4748/4885CHRM3 4012/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 CHRM2 2731/4885CHRM1 3155/4885CHRM3 3429/4885
US-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM2 4881/4885CHRM1 4856/4885CHRM3 4838/4885
US-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof NQO1, PARP1, PARP11 CHRM2 4189/4885CHRM1 3425/4885CHRM3 3864/4885
US-20170057993-A1 Ether Compounds for Treatment of Medical Disorders CFD, TFPI, F12 CHRM2 2985/4885CHRM1 3159/4885CHRM3 3785/4885
US-10385097-B2 Ether compounds for treatment of medical disorders CFD, TFPI, F12 CHRM2 2985/4885CHRM1 3159/4885CHRM3 3785/4885
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 CHRM2 4263/4885CHRM1 3783/4885CHRM3 3855/4885
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI CHRM2 1152/4885CHRM1 1408/4885CHRM3 1609/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM2 4881/4885CHRM1 4856/4885CHRM3 4838/4885
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders CFD, TFPI, CFH CHRM2 3967/4885CHRM1 4134/4885CHRM3 4554/4885
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 CHRM2 4263/4885CHRM1 3783/4885CHRM3 3855/4885
US-10000516-B2 Phosphonate compounds for treatment of medical disorders CFD, TFPI, CFH CHRM2 3967/4885CHRM1 4134/4885CHRM3 4554/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CHRM2 4697/4885CHRM1 4713/4885CHRM3 3883/4885

“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.