SCHEMBL2889480

SCHEMBL2889480

Cc1c(N2CCN(C(=O)OC(C)C)CC2=O)nnn1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.42
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
RBP4 P02753 1/20 0.40
LIPE Q05469 1/20 0.39
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
P2RX4 Q99571 1/20 0.34

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
SCHEMBL2889100 0.86 MEN1 (0.45) P2RX7RBP4
SCHEMBL2891520 0.86 P2RX7 (0.46) P2RX7RBP4LIPE
SCHEMBL5482882 0.85 LIPE (0.44) GRM5GRM1LIPEP2RX4
SCHEMBL2894048 0.81 RBP4 (0.44) P2RX7RBP4
SCHEMBL2889747 0.75 SCN9A (0.49) GRM5GRM1SCN9ASCN10A
SCHEMBL12975581 0.75 POLB (0.49) P2RX7GRM5GRM1
SCHEMBL14582539 0.74 HTT (0.43) RBP4
SCHEMBL2894092 0.74 MEN1 (0.45) P2RX7SCN9A
SCHEMBL5481400 0.73 P2RX7 (0.37) P2RX7GRM5GRM1
SCHEMBL2889291 0.73 GRM1 (0.73) GRM5GRM1P2RX4

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-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B P2RX7 1337/4885GRM5 26/4885GRM1 1/4885

“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.