SCHEMBL18458998

SCHEMBL18458998

CC1(C)CCN(CCS(C)(=O)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17176546 0.88 MEN1 (0.33) CYP2D6SMN1; SMN2
SCHEMBL18459006 0.80
SCHEMBL18776457 0.77 MEN1 (0.32) CYP2D6SMN1; SMN2
SCHEMBL18416951 0.74 MEN1 (0.31) CYP2D6SMN1; SMN2
SCHEMBL7351993 0.74
SCHEMBL12674147 0.73 S1PR4 (0.36)
SCHEMBL19425763 0.71 ALOX15 (0.46)
SCHEMBL18203003 0.71 OPRM1 (0.35)
SCHEMBL3656482 0.71 MAOB (0.31)
SCHEMBL14856213 0.71 ALDH1A1 (0.35)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255044-B1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO LTD GENERAL PHARMACEUTICAL FACTORY (CN) 2020-04-01 EP disclosed
EP-3159341-B1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR CHAI TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-08-21 EP disclosed
EP-3130592-B1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2019-08-14 EP disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
EP-3199530-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR Changzhou Yinsheng Pharmaceutical Co., Ltd. (CN) 2017-08-02 EP 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
EP-3170810-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF Cisen Pharmaceutical Co. Ltd. (CN) 2017-05-24 EP 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
EP-3159341-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2017-04-26 EP disclosed
EP-3159342-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR Cisen Pharmaceutical Co. Ltd. (CN) 2017-04-26 EP disclosed
EP-3147283-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR North China Pharmaceutical Company., Ltd. (CN) 2017-03-29 EP disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
EP-3130592-A1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-02-15 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 CYP2D6 2124/4885SMN1; SMN2 4465/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CYP2D6 825/4885SMN1; SMN2 4871/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 CYP2D6 1262/4885SMN1; SMN2 3180/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B CYP2D6 784/4885SMN1; SMN2 2730/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 CYP2D6 2480/4885SMN1; SMN2 696/4885
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 CYP2D6 1651/4885SMN1; SMN2 3756/4885

“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.