SCHEMBL559140

SCHEMBL559140

OC1CCC(Nc2ncc3ccc(OC[C@H]4CCCN4Cc4ccccc4)cc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.50
SPHK1 Q9NYA1 4/20 0.43
SPHK2 Q9NRA0 3/20 0.43
ADORA1 P30542 3/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
MAPK8 P45983 3/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 1/20 0.40
SYK P43405 2/20 0.40
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
BMPR1B O00238 1/20 0.39

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
SCHEMBL559336 1.00 FAAH (0.50) FAAHSPHK1SPHK2ADORA1ADORA2A
SCHEMBL559337 1.00 FAAH (0.50) FAAHSPHK1SPHK2ADORA1ADORA2A
SCHEMBL559139 1.00 FAAH (0.50) FAAHSPHK1SPHK2ADORA1ADORA2A
SCHEMBL559942 0.84 CHRNB2 (0.48)
SCHEMBL559943 0.84 CHRNB2 (0.48)
SCHEMBL559591 0.78 ROCK1 (0.49) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL558706 0.78 ROCK1 (0.49) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL558705 0.78 ROCK1 (0.49) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL559592 0.78 ROCK1 (0.49) ADORA1ADORA2AADORA2BGSK3AGSK3B
SCHEMBL558794 0.78 CDK2 (0.47) MAPK8MAPK9MAPK10CCNKCCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FAAH 2623/4885SPHK1 797/4885SPHK2 664/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FAAH 2623/4885SPHK1 797/4885SPHK2 664/4885

“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.