SCHEMBL17454459

SCHEMBL17454459

CC(=O)c1ccnn1C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.38
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CREBBP Q92793 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL25660320 0.90 SMN1; SMN2 (0.41) GAASMN1; SMN2KMT2ABRD4
SCHEMBL25522013 0.87 PKM (0.42) GAASMN1; SMN2KMT2ABRD4
SCHEMBL22320386 0.85 HSD11B1 (0.41) PIK3CDHSD11B1GAASMN1; SMN2PIK3CA
SCHEMBL17452638 0.84 MAPK1 (0.39) PIK3CDHSD11B1GAASMN1; SMN2KMT2A
SCHEMBL23135543 0.83 KAT2B (0.42) HSD11B1SMN1; SMN2CREBBPKMT2ABRD4
SCHEMBL20229800 0.83 HSD11B1 (0.41) PIK3CDHSD11B1GAASMN1; SMN2CREBBP
SCHEMBL25396371 0.80 PIK3CA (0.43) SMN1; SMN2PIK3CA
SCHEMBL22302817 0.80 SSTR4 (0.39) KMT2ABRD4
SCHEMBL23135532 0.80 MAPK1 (0.41) PIK3CDKMT2ABRD4
SCHEMBL22366382 0.76 KDM4C (0.42) PIK3CDHSD11B1PIK3CAPIK3CBPIK3CG

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 PIK3CD 515/4885HSD11B1 21/4885GAA 4260/4885

“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.