SCHEMBL4521679

SCHEMBL4521679

CC(C)(C)N(C(=O)O)[C@H](Cc1ccccc1)C(=O)N1CCc2cc(-c3ccncc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.48
CYP11B2 P19099 9/20 0.48
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
EIF2AK3 Q9NZJ5 2/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
GFER P55789 1/20 0.40
EIF2AK1 Q9BQI3 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL4533237 1.00 CYP11B1 (0.48) CYP11B1CYP11B2HTR2AHTR2CEIF2AK3
SCHEMBL4520355 0.85 MAPT (0.45) CYP11B1CYP11B2EIF2AK3TSHRNPC1
SCHEMBL4518060 0.85 FPR2 (0.46) TSHRMAPTSMN1; SMN2TP53HTT
SCHEMBL4521280 0.85 FPR2 (0.46) TSHRMAPTSMN1; SMN2TP53HTT
SCHEMBL4517974 0.81 CYP11B1 (0.53) CYP11B1CYP11B2HTR2AHTR2CEIF2AK3
SCHEMBL10260107 0.81 CYP11B1 (0.53) CYP11B1CYP11B2HTR2AHTR2CEIF2AK3
Hydrochloric Acid SCHEMBL4524946 0.81 CYP11B1 (0.53) CYP11B1CYP11B2HTR2AHTR2CEIF2AK3
SCHEMBL4525948 0.79 LMNA (0.44) TSHRALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4525604 0.79 TSHR (0.39) CYP11B1CYP11B2TSHRALDH1A1MAPT
SCHEMBL4535767 0.78 MAPT (0.43) CYP11B1CYP11B2EIF2AK3NPC1ALDH1A1

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 2 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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 (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 CYP11B1 971/4885CYP11B2 911/4885HTR2A 3943/4885

“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.