SCHEMBL3249457

SCHEMBL3249457

CC(C)NC[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
OPRD1 P41143 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
KDM1A O60341 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL4169505 1.00 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL5847543 1.00 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL27353435 0.96 KDM1A (0.48) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL13567719 0.93 SMN1; SMN2 (0.43) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL24029271 0.87 SMN1; SMN2 (0.48) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL190145 0.85 SMN1; SMN2 (0.49) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL5109143 0.85 SMN1; SMN2 (0.49) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL1598051 0.85 SMN1; SMN2 (0.49) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL22855699 0.85 POLB (0.41) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL14454188 0.85 XPNPEP1 (0.42) KMT2APOLBTSHRL3MBTL1

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 SMN1; SMN2 2559/4885OPRD1 2090/4885FPR3 1887/4885

“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.