SCHEMBL10240607

SCHEMBL10240607

COc1ccc2c(COC(=O)O)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FERMT2 Q96AC1 1/20 0.47
MET P08581 3/20 0.47
TLR8 Q9NR97 2/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
KDR P35968 3/20 0.44
AURKB Q96GD4 2/20 0.44
AURKA O14965 1/20 0.44
TEK Q02763 1/20 0.44

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
SCHEMBL10175202 0.81 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL30511844 0.80 MTNR1A (0.64) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL24010334 0.79 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL24010540 0.79 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL5759973 0.77 LMNA (0.78) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL2699530 0.76 MTNR1A (0.54) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL29430303 0.76 CYP1A2 (0.54) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL30682081 0.76 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL3727852 0.76 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL29878429 0.75 MET (0.54) HTR1AADRA1DADRA1AADRA1BLMNA

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-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 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-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HTR1A 3988/4885ADRA1D 3392/4885ADRA1A 3022/4885

“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.