SCHEMBL785012

SCHEMBL785012

CNCC1CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
CHKA P35790 1/20 0.48
F10 P00742 8/20 0.46
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
SYK P43405 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LRRK2 Q5S007 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
Hydrochloric Acid SCHEMBL786057 0.98 ROCK2 (0.53) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL3440166 0.90 ROCK2 (0.49) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL786310 0.84 CHKA (0.46) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL13083096 0.84 F10 (0.47) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL15372697 0.83 ADRB2 (0.49) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL10154050 0.83 ADRA1D (0.51) HRH3KDM1AL3MBTL1DRD2
SCHEMBL3440207 0.83 CHKA (0.42) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL13059913 0.83 CHKA (0.49) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL13139639 0.81 DRD2 (0.43) ROCK2ROCK1CHKAF10ADRB2
SCHEMBL12916521 0.81 MEN1 (0.51) ROCK2ROCK1SYKHRH3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-05 US disclosed
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed
CN-115298173-A Hydroxypyrrolidine derivatives and medical use thereof 田边三菱制药株式会社 2022-11-04 CN disclosed
US-20220298141-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-22 US disclosed
EP-4017849-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114286820-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-05 CN disclosed
WO-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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 (5 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 ROCK2 1744/4885ROCK1 913/4885CHKA 3194/4885
US-20220298141-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA ROCK2 2516/4885ROCK1 1964/4885CHKA 2336/4885
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH ROCK2 1957/4885ROCK1 1323/4885CHKA 4648/4885
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF VHL, MDM2, NEDD4 ROCK2 2701/4885ROCK1 2373/4885CHKA 4604/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP ROCK2 4474/4885ROCK1 4194/4885CHKA 514/4885

“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.