SCHEMBL2896111

SCHEMBL2896111

O=C(O)N1CC=C(c2cn(-c3cccc(F)n3)nn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 0.52
GRM5 P41594 11/20 0.52
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL2885356 0.85 GRM1 (0.73) GRM1GRM5
SCHEMBL14761667 0.81 ALDH1A1 (0.42) GRM1GRM5ALDH1A1HPGDMAPT
SCHEMBL28761564 0.80 GRM1 (0.74) GRM1GRM5ALDH1A1HPGDMAPT
SCHEMBL2888969 0.80 GRM1 (0.72) GRM1GRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL2885105 0.80 GRM1 (0.73) GRM1GRM5ALDH1A1HPGDMAPT
SCHEMBL2891168 0.80 GRM1 (0.72) GRM1GRM5ALDH1A1HPGDMAPT
SCHEMBL2892061 0.77 GRM1 (0.74) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2893240 0.76 GRM1 (0.71) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2893523 0.76 GRM1 (0.53) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL27666676 0.76 GRM1 (0.74) GRM1GRM5ALDH1A1HPGDSMN1; SMN2

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 4 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-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
CN-1980901-A Biaryl derivatives BANYU PHARMA CO LTD (JP) 2007-06-13 CN 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 GRM1 1/4885GRM5 26/4885ALDH1A1 712/4885

“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.