SCHEMBL615903

SCHEMBL615903

OC1(c2ccccc2F)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
OPRM1 P35372 4/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51
DRD2 P14416 2/20 0.43
HDAC4 P56524 2/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
HPGD P15428 1/20 0.40
HTR2C P28335 2/20 0.37
HTR2A P28223 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
PDK2 Q15119 2/20 0.36

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
Ethyne SCHEMBL27599449 0.96 SIGMAR1 (0.54) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL23232242 0.86 OPRM1 (0.59) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL15076841 0.85 SIGMAR1 (0.50) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2276508 0.82 SIGMAR1 (0.51) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4703115 0.82 SIGMAR1 (0.48) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL17982827 0.82 OPRM1 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL30678365 0.82 OPRM1 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL17982846 0.82 OPRM1 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL30678364 0.82 OPRM1 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1660350 0.82 SIGMAR1 (0.62) SIGMAR1OPRM1DRD2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-20150259324-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. 2015-09-17 US disclosed
US-9066932-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 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 (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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 SIGMAR1 244/4885OPRM1 189/4885OPRD1 173/4885
US-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 SIGMAR1 3731/4885OPRM1 3770/4885OPRD1 3666/4885
US-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885OPRM1 3702/4885OPRD1 3394/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR SIGMAR1 95/4885OPRM1 34/4885OPRD1 6/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885OPRM1 3702/4885OPRD1 3394/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 SIGMAR1 459/4885OPRM1 645/4885OPRD1 440/4885
US-20150259324-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 SIGMAR1 3570/4885OPRM1 3702/4885OPRD1 3394/4885

“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.