SCHEMBL5482882

SCHEMBL5482882

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.44
GRM5 P41594 2/20 0.44
GRM1 Q13255 1/20 0.44
P2RY12 Q9H244 1/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1C3 P42330 1/20 0.39
TRPA1 O75762 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 2/20 0.38
P2RX4 Q99571 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2888999 0.87 GRM5 (0.50) GRM5GRM1MAPTTRPA1TRPV1
SCHEMBL2889480 0.85 P2RX7 (0.42) LIPEGRM5GRM1P2RX4
SCHEMBL2889356 0.84 ALDH1A1 (0.50) LIPEGRM5GRM1P2RY12SMN1; SMN2
SCHEMBL2889291 0.77 GRM1 (0.73) GRM5GRM1P2RX4TRPV1CNR1
SCHEMBL12975589 0.72 POLB (0.56) GRM5GRM1MAPTTSHRTRPA1
SCHEMBL14582394 0.71 ALDH1A1 (0.53) MAPTHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL2891520 0.71 P2RX7 (0.46) LIPE
SCHEMBL2889100 0.71 MEN1 (0.45) MAPTMEN1KMT2A
SCHEMBL2885844 0.70 TRPV1 (0.41) MAPTTRPA1GAATRPV1
SCHEMBL2889077 0.69 GPR119 (0.52) GRM5GRM1MAPTALDH1A1

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 5 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-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 LIPE 4308/4885GRM5 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.