SCHEMBL18199673

SCHEMBL18199673

CCN1CCCC(C(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 3/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL23995928 1.00 HSD11B1 (0.49) HSD11B1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL22142323 1.00 HSD11B1 (0.49) HSD11B1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL3476998 0.91 HSD11B1 (0.55) HSD11B1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL3478542 0.84 SMN1; SMN2 (0.40) HSD11B1SMN1; SMN2CYP2D6KMT2A
SCHEMBL12437276 0.83 HSD11B1 (0.41) HSD11B1HTTL3MBTL1CYP2D6CYP1A2
SCHEMBL25045012 0.82 SMN1; SMN2 (0.37) HSD11B1SMN1; SMN2CYP2D6KMT2AHRH3
SCHEMBL24891046 0.80 HSD11B1 (0.46) HSD11B1SMN1; SMN2HRH3
SCHEMBL22142242 0.80 HSD11B1 (0.33) HSD11B1SMN1; SMN2HRH3
SCHEMBL426516 0.79 HTT (0.44) HSD11B1SMN1; SMN2HTTL3MBTL1CYP2D6
SCHEMBL12560562 0.78 HSD11B1 (0.43) HSD11B1SMN1; SMN2CYP2D6TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 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-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-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-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-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR SHANGHAI JIA TAN PHARMATECH CO. LTD. (CN) 2017-05-11 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 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 (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-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR MTOR, PIK3CA, PIK3CD HSD11B1 2872/4885SMN1; SMN2 2447/4885HTT 3677/4885
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 HSD11B1 4721/4885SMN1; SMN2 2165/4885HTT 1608/4885
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 HSD11B1 479/4885SMN1; SMN2 4465/4885HTT 1776/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 HSD11B1 1940/4885SMN1; SMN2 3180/4885HTT 2240/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B HSD11B1 2945/4885SMN1; SMN2 2730/4885HTT 4231/4885
US-20160318943-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEROF IN PREPARATION OF MEDICAMENT MAVS, SARS1, IRF3 HSD11B1 4539/4885SMN1; SMN2 2921/4885HTT 3527/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 HSD11B1 1249/4885SMN1; SMN2 696/4885HTT 4098/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 HSD11B1 4721/4885SMN1; SMN2 2165/4885HTT 1608/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 HSD11B1 927/4885SMN1; SMN2 2387/4885HTT 141/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 HSD11B1 3046/4885SMN1; SMN2 2646/4885HTT 4491/4885

“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.