SCHEMBL629045

SCHEMBL629045

CCN(CC)[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
KCNH2 Q12809 1/20 0.50
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
CYP2D6 P10635 2/20 0.45
SRC P12931 1/20 0.45
OPRD1 P41143 1/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2683020 1.00 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL627946 0.98 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL901698 0.98 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL30337118 0.88 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL14816808 0.86 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL890238 0.86 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL15898256 0.85 TRPM8 (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13179256 0.85 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL18117369 0.85 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11494728 0.85 NR1H2 (0.43) NR1H2NR1H3CYP2D6SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445367-B1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-22 EP disclosed
US-10787441-B2 Hepatitis C virus inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-29 US disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-10738062-B2 Chromane-substituted tetracyclic compounds and uses thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2020-08-11 US disclosed
US-10646494-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2020-05-12 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-20190185486-A1 CHROMANE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2019-06-20 US disclosed
US-20190127355-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
EP-2990406-B1 BENZIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING BENZIDINE DERIVATIVE FOR TREATING LIVER DISEASE CAUSED BY HEPATITIS C VIRUS SEOUL NAT UNIV R&DB FOUNDATION (KR) 2018-12-26 EP disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (10 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-10787441-B2 Hepatitis C virus inhibitors HAVCR2, FABP1, SLC10A1 PGR 1784/4885ADRA2A 3956/4885ADRA2B 3659/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PGR 2200/4885ADRA2A 4127/4885ADRA2B 3726/4885
US-10646494-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases HAVCR2, HCCS, ZC3HAV1 PGR 1547/4885ADRA2A 1381/4885ADRA2B 1717/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 PGR 4048/4885ADRA2A 4679/4885ADRA2B 4738/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PGR 2200/4885ADRA2A 4127/4885ADRA2B 3726/4885
US-10738062-B2 Chromane-substituted tetracyclic compounds and uses thereof for the treatment of viral diseases HAVCR2, C3AR1, HCCS PGR 544/4885ADRA2A 400/4885ADRA2B 932/4885
US-20190185486-A1 CHROMANE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, C3AR1, HCCS PGR 544/4885ADRA2A 400/4885ADRA2B 932/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PGR 4048/4885ADRA2A 4679/4885ADRA2B 4738/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PGR 2200/4885ADRA2A 4127/4885ADRA2B 3726/4885
US-20190127355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, FABP1, SLC10A1 PGR 1784/4885ADRA2A 3956/4885ADRA2B 3659/4885

“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.