SCHEMBL2889403

SCHEMBL2889403

O=C(O)N1CC=C(c2cn(-c3ccccc3F)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 9/20 0.48
GRM5 P41594 8/20 0.48
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TRPV1 Q8NER1 2/20 0.39
ALOX15 P16050 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL2885105 0.80 GRM1 (0.73) GRM1GRM5ALDH1A1SMN1; SMN2ALOX15
SCHEMBL18865732 0.74 ALDH1A1 (0.39) GRM1GRM5ALDH1A1SMN1; SMN2ALOX15
SCHEMBL5376595 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL5492261 0.73 GRM1 (0.78) GRM1GRM5ALDH1A1SMN1; SMN2TRPV1
SCHEMBL12100560 0.72 ALDH1A1 (0.59) GRM1GRM5ALDH1A1SMN1; SMN2ALOX15
SCHEMBL30097493 0.72 ALDH1A1 (0.59) GRM1GRM5ALDH1A1SMN1; SMN2ALOX15
SCHEMBL28971538 0.72 ALDH1A1 (0.46) GRM1GRM5ALDH1A1SMN1; SMN2TRPV1
SCHEMBL2889708 0.71 GRM1 (0.59) GRM1GRM5ALDH1A1SMN1; SMN2TRPV1
SCHEMBL27727617 0.70 NOTUM (0.41) ALDH1A1ALOX15MAPTMEN1KMT2A
SCHEMBL2892061 0.70 GRM1 (0.74) GRM1GRM5ALDH1A1SMN1; SMN2TRPV1

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
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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.