SCHEMBL14690144

SCHEMBL14690144

COC(=O)C1(NC(=O)Cc2cc(Br)cc(F)c2C)CCC(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
BACE1 P56817 4/20 0.32
APP P05067 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
P2RX7 Q99572 1/20 0.31
RORC P51449 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
SCHEMBL2353003 1.00 DPP4 (0.33) DPP4BACE1APPHTR2AHTR2C
SCHEMBL12456913 1.00 DPP4 (0.33) DPP4BACE1APPHTR2AHTR2C
SCHEMBL2356432 0.88 SCN9A (0.32)
SCHEMBL14372101 0.81 GRM1 (0.31)
SCHEMBL19578937 0.81 HPGD (0.32)
SCHEMBL8652458 0.77 P2RX7 (0.38) P2RX7
SCHEMBL19578935 0.76 NPC1 (0.37) P2RX7
SCHEMBL12778710 0.76 NPC1 (0.37) P2RX7
SCHEMBL30063229 0.76 NPC1 (0.37) P2RX7
SCHEMBL13527322 0.76 MEN1 (0.40) DPP4P2RX7

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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 DPP4 3553/4885BACE1 3453/4885APP 3430/4885

“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.