SCHEMBL21015877

SCHEMBL21015877

CCN(C)CCNC(=O)c1cccc(CNC(=O)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.47
▸ SIGMAR1 Q99720 5/20 0.47
▸ TMEM97 Q5BJF2 4/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ MMP13 P45452 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL19634803 0.89 TDP1 (0.50) ROCK2SIGMAR1TMEM97NR1H4MMP13
SCHEMBL21015872 0.89 MRGPRX4 (0.51) ROCK2SIGMAR1TMEM97NR1H4MMP13
SCHEMBL21015341 0.83 NR1H4 (0.52) ROCK2NR1H4MMP13HDAC6POLB
SCHEMBL21015342 0.81 ROCK2 (0.54) ROCK2NR1H4MMP13HDAC6SMN1; SMN2
SCHEMBL21015486 0.80 NR1H4 (0.38) ROCK2NR1H4HDAC6POLBSMN1; SMN2
SCHEMBL21015963 0.80 NR1H4 (0.47) ROCK2NR1H4MMP13HDAC6POLB
SCHEMBL21015314 0.80 NR1H4 (0.49) ROCK2NR1H4MMP13HDAC6POLB
SCHEMBL19634804 0.79 NR1H4 (0.48) ROCK2NR1H4MMP13HDAC6SMN1; SMN2
SCHEMBL21015870 0.79 HDAC6 (0.52) ROCK2NR1H4MMP13HDAC6SMN1; SMN2
SCHEMBL21015316 0.78 NR1H4 (0.55) ROCK2NR1H4MMP13HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 — — 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B ROCK2 3054/4885SIGMAR1 2494/4885TMEM97 1784/4885

“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.

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