SCHEMBL3311991

SCHEMBL3311991

O=C(O)CCCCNn1c(=O)c2cc(F)c(NCC3CC3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.32
OGFRL1 Q5TC84 1/20 0.32
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PIK3CA P42336 6/20 0.31
PRKDC P78527 5/20 0.31
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
RIOX2 Q8IUF8 1/20 0.31
KDM8 Q8N371 1/20 0.31
MAP2K1 Q02750 1/20 0.30
SLC6A2 P23975 1/20 0.30
PARP14 Q460N5 1/20 0.30
MTOR P42345 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CDK4 P11802 1/20 0.30
CCND3 P30281 1/20 0.30

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
SCHEMBL3311728 0.97 OGFRL1 (0.33) TOP1OGFRL1LIPCLIPGPIK3CA
SCHEMBL13333130 0.89 ALDH1A1 (0.38) OGFRL1PIK3CAPRKDCKDM4E
SCHEMBL13333106 0.87 KMT2A (0.42) OGFRL1KDM4ESLC6A2MEN1GAA
SCHEMBL13333139 0.87 KMT2A (0.42) OGFRL1KDM4ESLC6A2MEN1GAA
SCHEMBL13333070 0.86 ALDH1A1 (0.39) OGFRL1PIK3CAPRKDCKDM4E
SCHEMBL3311445 0.84 KMT2A (0.42) OGFRL1KDM4ESLC6A2MEN1GAA
SCHEMBL13332519 0.84 PIK3CA (0.35) PIK3CAPRKDCMAP2K1MTORMEN1
SCHEMBL13333184 0.82 LMNA (0.33) OGFRL1PIK3CAPRKDCMAP2K1MTOR
SCHEMBL13332515 0.80 OPRL1 (0.37) PIK3CAPRKDCKDM4EMTOR
SCHEMBL13333059 0.77 KDM4E (0.35) OGFRL1PIK3CAPRKDCKDM4EMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US claimed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 TOP1 2575/4885OGFRL1 3918/4885LIPC 2726/4885

“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.