SCHEMBL2890765

SCHEMBL2890765

CC(C)(C)NC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 1.00
GRM5 P41594 11/20 1.00
NOTUM Q6P988 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EED O75530 2/20 0.39
RBBP4 Q09028 2/20 0.39
SUZ12 Q15022 2/20 0.39
EZH2 Q15910 2/20 0.39

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
SCHEMBL5492261 0.87 GRM1 (0.78) GRM1GRM5NOTUMTRPV1NPC1
SCHEMBL2891458 0.86 GRM1 (0.75) GRM1GRM5NPC1ALDH1A1MAPT
SCHEMBL2885105 0.84 GRM1 (0.73) GRM1GRM5NOTUMNPC1ALDH1A1
SCHEMBL12975497 0.84 GRM1 (1.00) GRM1GRM5
SCHEMBL2894085 0.84 GRM1 (1.00) GRM1GRM5NOTUM
SCHEMBL2892959 0.84 GRM1 (0.72) GRM1GRM5TRPV1EEDRBBP4
SCHEMBL5492259 0.83 GRM1 (0.72) GRM1GRM5NOTUM
SCHEMBL2888901 0.80 GRM1 (0.78) GRM1GRM5NOTUM
SCHEMBL2892722 0.77 GRM1 (0.71) GRM1GRM5NOTUM
SCHEMBL2891308 0.77 GRM1 (0.70) GRM1GRM5NOTUM

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 GRM1 1/4885GRM5 26/4885NOTUM 3935/4885

“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.