SCHEMBL9893162

SCHEMBL9893162

CC(C)(C)c1nnc(NC=O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL2441632 0.85 SMN1; SMN2 (0.40) CA1CA2CA4CA5ACA5B
SCHEMBL2446415 0.80 CA1 (0.53) CA1CA2CA4CA5ACA5B
SCHEMBL5996744 0.74 CA1 (0.55) CA1CA2CA4CA5ACA5B
SCHEMBL28674576 0.72 CA1 (0.53) CA1CA2CA4CA5ACA5B
SCHEMBL10987455 0.72 CA1 (0.58) CA1CA2CA4CA5ACA5B
SCHEMBL2437459 0.72
Hydrochloric Acid SCHEMBL9506373 0.72 CA1 (0.53) CA1CA2CA4CA5ACA5B
SCHEMBL4860639 0.71 MEN1 (0.34) CA1CA2CA4CA5ACA5B
SCHEMBL3909252 0.71 CNR2 (0.32) CA1CA2CA4CA5ACA5B
SCHEMBL3912438 0.71 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 4291/4885CA2 2996/4885CA4 4124/4885

“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.