SCHEMBL3543202

SCHEMBL3543202

CC1(C)OCC(CN2CCNCCC2=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPK14 Q16539 1/20 0.35
CA2 P00918 2/20 0.35
HTR1A P08908 3/20 0.31
ADRA1D P25100 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL18498742 0.88 ALDH1A1 (0.46) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL18498745 0.88 ALDH1A1 (0.46) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL13637136 0.80 ALDH1A1 (0.43) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL3551604 0.78 ALDH1A1 (0.47) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL13315032 0.76 ALDH1A1 (0.41) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL1900854 0.76 TMEM97 (0.49) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL1900848 0.76 TMEM97 (0.49) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL15735800 0.75 ALDH1A1 (0.39) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL15735798 0.75 ALDH1A1 (0.39) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E
SCHEMBL10447231 0.71 CA2 (0.41) ALDH1A1NPSR1TMEM97SIGMAR1KDM4E

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-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 ALDH1A1 2027/4885NPSR1 3691/4885TMEM97 2357/4885

“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.