SCHEMBL10169571

SCHEMBL10169571

O=C(OCc1ccccc1)N1CCCC2NCCC21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.54
ACE2 Q9BYF1 2/20 0.49
HSD17B10 Q99714 1/20 0.48
CTRB1 P17538 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL34474706 0.93 SMN1; SMN2 (0.50) PREPRAB9ANPC1SMN1; SMN2
SCHEMBL1934000 0.93 SMN1; SMN2 (0.50) PREPRAB9ANPC1SMN1; SMN2
SCHEMBL1190472 0.91 PREP (0.49) PREPACE2RAB9ANPC1SMN1; SMN2
SCHEMBL18428254 0.88 PREP (0.48) PREPRAB9ANPC1SMN1; SMN2
SCHEMBL928649 0.86 HTR2C (0.50) PREPRAB9ANPC1SMN1; SMN2
SCHEMBL30065232 0.81 SMN1; SMN2 (0.51) PREPRAB9ANPC1SMN1; SMN2
SCHEMBL18599811 0.81 PREP (0.52) PREPACE2CTRB1RAB9ANPC1
SCHEMBL16250272 0.80 PREP (0.47) PREPACE2HSD17B10RAB9ANPC1
SCHEMBL15218168 0.80 HTR2C (0.49) PREPRAB9ANPC1SMN1; SMN2
SCHEMBL17722317 0.80 PREP (0.47) PREPACE2HSD17B10RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085525-B Isoquinolin sulfonyl derivative as RHO kinase inhibitor 南京明德新药研发股份有限公司 2019-01-04 CN disclosed
EP-2629777-B1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-12-19 EP disclosed
US-9856264-B2 Isoquinolinesulfonyl derivative as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2018-01-02 US disclosed
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 EP disclosed
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 EP disclosed
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-02-09 US disclosed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012054364-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-26 WO 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 (2 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-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PREP 1333/4885ACE2 1661/4885HSD17B10 3610/4885
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT PREP 3040/4885ACE2 1068/4885HSD17B10 3032/4885

“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.