SCHEMBL9891787

SCHEMBL9891787

CC(C)C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
HTT P42858 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 1/20 0.61
TSHR P16473 1/20 0.58
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
RAF1 P04049 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL11614784 0.85 FFAR2 (0.60) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11617965 0.82 TSHR (0.54) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11877001 0.81 MEN1 (0.55) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9892978 0.80 SMN1; SMN2 (0.67) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3807415 0.80 SMN1; SMN2 (0.67) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11866923 0.79 MEN1 (0.54) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9891528 0.79 KMT2A (0.65) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11188939 0.77 SMN1; SMN2 (0.63) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9290603 0.77 POLB (0.66) KDM4ESMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL11489705 0.76 SMN1; SMN2 (0.61) KDM4EHTTSMN1; SMN2MEN1KMT2A

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-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
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
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 KDM4E 2527/4885HTT 3335/4885SMN1; SMN2 4659/4885

“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.