SCHEMBL9891925

SCHEMBL9891925

CC(C)(C)C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
LMNA P02545 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIK4 Q16099 1/20 0.46
GRIK5 Q16478 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RHEB Q15382 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL29770422 0.86 RHEB (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL16480441 0.83 LMNA (0.58) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL16253006 0.83 RAB9A (0.48) LMNASMN1; SMN2TP53MAPTHRH4
SCHEMBL9892357 0.77 MTOR (0.50) LMNASMN1; SMN2TP53MAPTABL1
SCHEMBL7215070 0.76 GAA (0.49) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL27203435 0.76 TUBB4A (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL29770415 0.76 TUBB4A (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL18623608 0.76 LMNA (0.69) LMNASMN1; SMN2TP53GAAALDH1A1
SCHEMBL29770420 0.74 HRH4 (0.57) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11707467 0.74 NPC1 (0.68) SMN1; SMN2TP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 GRIN2D 1017/4885GRIN3B 438/4885GRIA1 367/4885

“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.