SCHEMBL10140271

SCHEMBL10140271

COc1ccc(COc2c(C(C)=O)nn(Cc3ccc(OC)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
NPBWR1 P48145 1/20 0.44
PTGER4 P35408 2/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 2/20 0.43
MCTS1 Q9ULC4 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
AKR1C3 P42330 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL7977426 0.92 CNR1 (0.48) CNR1CNR2FAAHMGLLNPBWR1
SCHEMBL7973344 0.88 CYP19A1 (0.53) CNR1CNR2PTGDR2GABRA2MAPT
SCHEMBL10140554 0.81 ALDH1A1 (0.43) CNR1CNR2FAAHMGLLNPBWR1
SCHEMBL10140272 0.80 MEN1 (0.48) CNR1CNR2FAAHMGLLNPBWR1
SCHEMBL20307720 0.78 CYP19A1 (0.63) MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL8887875 0.77 MEN1 (0.51) NPBWR1PTGER4ERCC5FEN1AKR1C3
SCHEMBL10140278 0.77 SMN1; SMN2 (0.48) CNR1CNR2FAAHMGLLNPBWR1
SCHEMBL8888281 0.74 AKR1C3 (0.48) PTGER4ERCC5FEN1SLC16A3SLC16A1
SCHEMBL10140337 0.72 CYP19A1 (0.51) CNR1SMN1; SMN2NPC1POLBRAB9A
SCHEMBL11254519 0.72 PTGDR2 (0.60) PTGDR2SMN1; SMN2MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CNR1 2805/4885CNR2 3165/4885FAAH 583/4885

“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.