SCHEMBL21015486

SCHEMBL21015486

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM5C P41229 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CA1 P00915 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
SCHEMBL23471264 0.82 HDAC3 (0.48) NR1H4SMN1; SMN2NPC1LMNARAB9A
SCHEMBL21015205 0.81 HDAC6 (0.55) NR1H4SMN1; SMN2NPC1LMNARAB9A
SCHEMBL21015877 0.80 ROCK2 (0.47) NR1H4ROCK2SMN1; SMN2LMNAHDAC6
SCHEMBL21015944 0.80 NR1H4 (0.45) NR1H4ROCK2SMN1; SMN2NPC1LMNA
SCHEMBL21015876 0.79 NR1H4 (0.48) NR1H4ROCK2SMN1; SMN2HDAC6PPARG
SCHEMBL19634803 0.79 TDP1 (0.50) NR1H4ROCK2SMN1; SMN2LMNAHDAC6
SCHEMBL21015964 0.79 NR1H4 (0.44) NR1H4ROCK2SMN1; SMN2NPC1LMNA
SCHEMBL21015487 0.77 NR1H4 (0.43) NR1H4ROCK2SMN1; SMN2NPC1LMNA
SCHEMBL23471280 0.77 NR1H4 (0.43) NR1H4SMN1; SMN2NPC1LMNARAB9A
SCHEMBL21015961 0.75 NR1H4 (0.39) NR1H4ROCK2SMN1; SMN2NPC1LMNA

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 NR1H4 1808/4885ROCK2 3054/4885SMN1; SMN2 781/4885

“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.

Send feedback