SCHEMBL4525150

SCHEMBL4525150

O=C(Cc1ccccn1)N1CCc2cc(-c3ccncc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 6/20 0.59
CYP11B1 P15538 8/20 0.58
CYP11B2 P19099 8/20 0.58
EIF2AK1 Q9BQI3 2/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
LCK P06239 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RIPK1 Q13546 1/20 0.45
POLB P06746 1/20 0.43

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
SCHEMBL4527947 0.85 CYP11B1 (0.78) EIF2AK3CYP11B1CYP11B2EIF2AK1HTR2A
SCHEMBL4523961 0.83 HTR2C (0.58) EIF2AK3CYP11B1CYP11B2HTR2AHTR2C
SCHEMBL6492613 0.83 EIF2AK3 (0.59) EIF2AK3CYP11B1CYP11B2EIF2AK1HTR2A
SCHEMBL6635461 0.82 ALDH1A1 (0.63) EIF2AK3MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6501814 0.79 HTR2C (0.53) EIF2AK3CYP11B1CYP11B2HTR2CMAPT
SCHEMBL10259875 0.78 HTR2A (0.58) EIF2AK3CYP11B1CYP11B2EIF2AK1HTR2A
SCHEMBL6809248 0.77 SMO (0.56) EIF2AK3CYP11B1CYP11B2HTR2AHTR2C
Hydrochloric Acid SCHEMBL4531569 0.77 HTR2A (0.57) EIF2AK3CYP11B1CYP11B2EIF2AK1HTR2A
SCHEMBL6638802 0.76 EIF2AK3 (0.52) EIF2AK3HTR2AHTR2CMAPTSMN1; SMN2
SCHEMBL23063867 0.76 LMNA (0.56) EIF2AK3CYP11B1CYP11B2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 (1 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA EIF2AK3 1798/4885CYP11B1 971/4885CYP11B2 911/4885

“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.