SCHEMBL9891908

SCHEMBL9891908

CC(C)C(=O)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.63
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 3/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 1/20 0.63
RAB9A P51151 11/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 1/20 0.57
RXFP1 Q9HBX9 2/20 0.56
TP53 P04637 2/20 0.54
USP2 O75604 1/20 0.54
GFER P55789 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2A1 P68400 1/20 0.54

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
SCHEMBL19302571 0.84 MEN1 (0.55) NPC1KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL23346549 0.82 NPC1 (0.52) NPC1KDM4ERAB9AKMT2AMEN1
SCHEMBL9893004 0.82 CSNK2A2 (0.74) NPC1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL3828303 0.82 NPC1 (0.71) NPC1KDM4EALDH1A1RAB9AKMT2A
SCHEMBL2420013 0.81 CSNK2A2 (0.78) NPC1KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL2421423 0.79 KDM4E (0.75) NPC1KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL18788945 0.79 NPC1 (0.67) NPC1KDM4EALDH1A1RAB9AKMT2A
SCHEMBL18289806 0.79 NPC1 (0.55) NPC1KDM4EALDH1A1RAB9AKMT2A
SCHEMBL29308125 0.78 NPC1 (0.51) NPC1KDM4ERAB9AKMT2AMEN1
SCHEMBL19302572 0.78 NPC1 (0.51) NPC1KDM4EALDH1A1RAB9AKMT2A

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 NPC1 1904/4885KDM4E 2527/4885ALDH1A1 3279/4885

“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.