SCHEMBL2240998

SCHEMBL2240998

CC(C)NC(=O)N1CCC([O])CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
PKM P14618 1/20 0.58
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.44
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
EPHX2 P34913 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
PDE4B Q07343 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
SCHEMBL2241005 0.86 SMN1; SMN2 (0.56) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL13301273 0.86 POLB (0.58) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL23464918 0.84
SCHEMBL1564357 0.84 SMN1; SMN2 (0.55) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL1564354 0.84 SMN1; SMN2 (0.55) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL12385957 0.84 SMN1; SMN2 (0.55) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL14355657 0.82 LMNA (0.59) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL16420957 0.82 SMN1; SMN2 (0.53) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL23331595 0.82 SMN1; SMN2 (0.67) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6
SCHEMBL3009879 0.82 SMN1; SMN2 (0.67) SMN1; SMN2PKMCYP1A2CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546383-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-01 US disclosed
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2012-09-13 US disclosed
EP-1831226-B1 CHIRAL TETRACYCLIC COMPOUNDS INDUCING INTERFERON BIOSYNTHESIS 3M INNOVATIVE PROPERTIES CO (US) 2012-08-08 EP disclosed
US-8207162-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-06-26 US disclosed
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2011-08-25 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 (2 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-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 SMN1; SMN2 3046/4885PKM 4314/4885CYP1A2 768/4885
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 SMN1; SMN2 2992/4885PKM 4315/4885CYP1A2 802/4885

“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.