SCHEMBL802995

SCHEMBL802995

CC(C)(C)C1(c2ccccc2F)CCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.41
HSD11B1 P28845 2/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HSD11B2 P80365 1/20 0.35
OPRL1 P41146 2/20 0.35
ESR1 P03372 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PDK2 Q15119 2/20 0.33
ACHE P22303 1/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL803048 0.96 HDAC4 (0.45) HDAC4HSD11B1PSEN1PSEN2APH1B
SCHEMBL803450 0.92 HDAC4 (0.40) HDAC4HSD11B1PSEN1PSEN2APH1B
SCHEMBL12225794 0.78 BACE1 (0.40) HDAC4OPRL1
SCHEMBL802999 0.77 GRIN1 (0.41) HDAC4OPRM1OPRK1PDK2PDE7A
SCHEMBL4402795 0.77 HDAC4 (0.42) HDAC4PDK2PDE7A
SCHEMBL17322977 0.77 HDAC4 (0.47) HDAC4
SCHEMBL256776 0.74 HDAC4 (0.44) HDAC4HSD11B1PSEN1PSEN2APH1B
SCHEMBL803385 0.73 GRIN1 (0.45) HDAC4OPRM1OPRK1PDE7A
SCHEMBL11772140 0.73 GRIN1 (0.35) HDAC4OPRM1OPRK1PDE7A
SCHEMBL17982827 0.69 OPRM1 (0.56) HDAC4HSD11B1PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
WO-2008070707-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO 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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN HDAC4 3136/4885HSD11B1 1753/4885PSEN1 4404/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HDAC4 2231/4885HSD11B1 4053/4885PSEN1 3903/4885

“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.