SCHEMBL2360451

SCHEMBL2360451

CC1(C)CC(O)CC(C)(CNc2ccccn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HSD11B1 P28845 1/20 0.42
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.39
CXCR4 P61073 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FABP1 P07148 1/20 0.38
FABP6 P51161 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.37
FDPS P14324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL12441368 0.88 KDM4E (0.42) KDM4ECYP2C19CYP1A2CXCR4NPSR1
SCHEMBL2323587 0.81 HSD11B1 (0.38) HSD11B1NPSR1ALDH1A1
SCHEMBL2325476 0.81 NPC1 (0.39) KDM4EHSD11B1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL17700545 0.80 KDM4E (0.58) KDM4ECYP2C19CYP1A2CXCR4NPSR1
SCHEMBL12350687 0.79 HSD11B1 (0.46) KDM4EHSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12350883 0.78 RAB9A (0.41) ALDH1A1RAB9ANPC1GAA
SCHEMBL12350968 0.77 HSD11B1 (0.43) KDM4EHSD11B1NPSR1ALDH1A1HPGD
SCHEMBL12350870 0.77 HSD11B1 (0.39) HSD11B1P2RX7
SCHEMBL2358791 0.77 HSD11B1 (0.43) HSD11B1NPSR1ALDH1A1MAPK1
SCHEMBL12350878 0.76 SSTR4 (0.37) HSD11B1P2RX7

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
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 KDM4E 3582/4885HSD11B1 433/4885CYP2C19 788/4885

“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.