SCHEMBL4525604

SCHEMBL4525604

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)C(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ROCK1 Q13464 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
IDO1 P14902 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
POLB P06746 3/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP11B1 P15538 2/20 0.34
RGS12 O14924 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4521280 0.82 FPR2 (0.46) TSHRHTTRECQLNPSR1LMNA
SCHEMBL4518060 0.82 FPR2 (0.46) TSHRHTTRECQLNPSR1LMNA
SCHEMBL4525273 0.80 FPR2 (0.47) TSHRLMNATP53LIPGPOLB
SCHEMBL4514871 0.80 FPR2 (0.47) TSHRLMNATP53LIPGPOLB
SCHEMBL4533237 0.79 CYP11B1 (0.48) TSHRHTTRECQLNPSR1TP53
SCHEMBL4521679 0.79 CYP11B1 (0.48) TSHRHTTRECQLNPSR1TP53
SCHEMBL30301910 0.77 ALDH1A1 (0.57) TSHRROCK1LMNATP53LIPG
SCHEMBL19098411 0.77 ALDH1A1 (0.57) TSHRROCK1LMNATP53LIPG
SCHEMBL4525948 0.77 LMNA (0.44) TSHRHTTNPSR1LMNATP53
SCHEMBL1983987 0.75 NPC1 (0.60) ROCK1NPSR1LIPGSMN1; SMN2CYP11B1

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 TSHR 2514/4885ROCK1 1/4885HTT 1894/4885

“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.