SCHEMBL2890987

SCHEMBL2890987

CNC(C)(C)C.O=C(O)N1CC=C(c2cn(-c3ccccc3)nn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 0.71
GRM5 P41594 11/20 0.71
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
OGT O15294 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2888969 0.91 GRM1 (0.72) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2891458 0.87 GRM1 (0.75) GRM1GRM5DRD2DRD4DRD3
SCHEMBL5492261 0.87 GRM1 (0.78) GRM1GRM5NPC1ALDH1A1HPGD
SCHEMBL8614176 0.83 GRM1 (1.00) GRM1GRM5NAMPT
SCHEMBL2890984 0.82 GRM1 (0.70) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2893240 0.82 GRM1 (0.71) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2891168 0.81 GRM1 (0.72) GRM1GRM5NPC1ALDH1A1HPGD
SCHEMBL2893262 0.81 GRM1 (0.73) GRM1GRM5DRD2DRD4DRD3
SCHEMBL28761564 0.80 GRM1 (0.74) GRM1GRM5ALDH1A1HPGD
SCHEMBL27666676 0.79 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 3 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
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 26/4885DRD2 47/4885

“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.