SCHEMBL4511041

SCHEMBL4511041

O=C(NCc1ccccc1)N1CCc2cc(-c3ccncc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
CYP11B1 P15538 5/20 0.55
CYP11B2 P19099 5/20 0.55
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 2/20 0.51
MAP4K4 O95819 2/20 0.51
MAPK1 P28482 2/20 0.51
GSK3B P49841 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKCG P05129 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
AKT1 P31749 1/20 0.51
GSK3A P49840 1/20 0.51
PRKX P51817 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKG2 Q13237 1/20 0.51
DYRK1A Q13627 1/20 0.51

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
SCHEMBL23385008 0.83 ROCK2 (0.52) HTR2AHTR2CCYP11B1CYP11B2ROCK2
SCHEMBL4527947 0.83 CYP11B1 (0.78) HTR2AHTR2CCYP11B1CYP11B2ROCK2
SCHEMBL4525359 0.83 HTR2C (0.78) HTR2AHTR2CCYP11B1CYP11B2TP53
SCHEMBL23384716 0.80 EPHX1 (0.54) HTR2AHTR2CCYP11B1CYP11B2MAPK1
SCHEMBL1867242 0.79 NPC1 (0.62) MAPK1TP53GAA
SCHEMBL410151 0.79 DGAT1 (0.77) DGAT1
SCHEMBL410152 0.79 DGAT1 (0.77) DGAT1
SCHEMBL4512072 0.79 ROCK2 (0.55) HTR2AHTR2CCYP11B1CYP11B2ROCK2
SCHEMBL10260107 0.78 CYP11B1 (0.53) HTR2AHTR2CCYP11B1CYP11B2TP53
SCHEMBL4517974 0.78 CYP11B1 (0.53) HTR2AHTR2CCYP11B1CYP11B2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 HTR2A 4196/4885HTR2C 3603/4885CYP11B1 2/4885
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA HTR2A 3943/4885HTR2C 4403/4885CYP11B1 971/4885

“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.