SCHEMBL18199693

SCHEMBL18199693

CCN1CCC(CN2CCC(C)(C(C)(C)C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
HRH3 Q9Y5N1 2/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
EPHX1 P07099 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
EPHX2 P34913 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KCNH2 Q12809 1/20 0.31
EBP Q15125 1/20 0.31

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
SCHEMBL18199691 0.88 CHRM5 (0.39) ACHECHRM5ADRA2COPRM1OPRL1
SCHEMBL18199682 0.84 CHRM5 (0.45) ACHECHRM5ADRA2COPRM1OPRL1
SCHEMBL18199659 0.84 KDM4E (0.34) OPRM1
SCHEMBL18416926 0.83 CHRM5 (0.53) ACHECHRM5ADRA2CSMN1; SMN2OPRM1
SCHEMBL18202977 0.82 ACHE (0.41) ACHEHRH3CHRM5ADRA2CEPHX1
SCHEMBL24475309 0.80 ACHE (0.42) ACHEHRH3CHRM5ADRA2CEPHX1
SCHEMBL18459034 0.80 EBP (0.41) ACHECHRM5ADRA2CKCNH2EBP
SCHEMBL17176551 0.79 ACHE (0.39) ACHEHRH3CHRM5ADRA2CEPHX1
SCHEMBL26521285 0.79 ACHE (0.39) ACHEHRH3CHRM5ADRA2CEPHX1
SCHEMBL18199646 0.79 EPHX2 (0.41) ACHECHRM5ADRA2COPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-07-24 US disclosed
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-07-24 US disclosed
US-10017507-B2 Diaza-benzofluoranthrene compounds HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-07-10 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-01-18 US disclosed
US-9868737-B2 Pyridino[1,2-A]pyrimidone analogue used as MTOR/P13K inhibitor CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-16 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2017-06-01 US disclosed
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2017-06-01 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-20160318943-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEROF IN PREPARATION OF MEDICAMENT SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2016-11-03 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 (9 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-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS DDT, CYP3A43, CYP19A1 ACHE 596/4885HRH3 2620/4885CHRM5 1946/4885
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 ACHE 1409/4885HRH3 58/4885CHRM5 2585/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 ACHE 4558/4885HRH3 853/4885CHRM5 4877/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B ACHE 4552/4885HRH3 2490/4885CHRM5 4659/4885
US-20160318943-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEROF IN PREPARATION OF MEDICAMENT MAVS, SARS1, IRF3 ACHE 3468/4885HRH3 840/4885CHRM5 4048/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 ACHE 4883/4885HRH3 1155/4885CHRM5 4849/4885
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 ACHE 2302/4885HRH3 1774/4885CHRM5 658/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 ACHE 596/4885HRH3 2620/4885CHRM5 1946/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 ACHE 2524/4885HRH3 672/4885CHRM5 3087/4885

“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.