SCHEMBL17454476

SCHEMBL17454476

CC(=O)c1cnn2cc(Cc3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KLF5 Q13887 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
KDM4E B2RXH2 5/20 0.41
EPHB3 P54753 2/20 0.41
TP53 P04637 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
SCHEMBL17452734 0.87 HAT1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17454404 0.79 MAOB (0.54) SMN1; SMN2ALDH1A1MAPTEPHB3HTT
SCHEMBL17454508 0.78 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17454509 0.78 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17454444 0.77 IRAK4 (0.39) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17454527 0.75 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17454523 0.75 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL31547085 0.75 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17454507 0.74 ALDH1A1 (0.47) ALDH1A1GAAKDM4E
SCHEMBL17454504 0.74 LMNA (0.41) LMNANPC1RAB9ASMN1; SMN2KMT2A

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-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 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-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 LMNA 1620/4885NPC1 2709/4885RAB9A 564/4885

“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.