SCHEMBL215485

SCHEMBL215485

CN1CCN(CCCOc2ccc3[nH]c(N)nc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.56
HRH3 Q9Y5N1 3/20 0.56
HRH4 Q9H3N8 8/20 0.53
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
LTA4H P09960 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL214173 0.94 DRD3 (0.49) DRD3HRH3HRH4ALDH1A1SIGMAR1
SCHEMBL216843 0.86 LTA4H (0.44) DRD3LTA4HDRD2
SCHEMBL10247571 0.86 HRH3 (0.55) HRH3ALDH1A1LTA4H
SCHEMBL15938764 0.84 LTA4H (0.57) HRH3NPC1RAB9ALTA4H
SCHEMBL4115346 0.80 DRD3 (0.48) DRD3SIGMAR1LTA4HDRD2
SCHEMBL10807692 0.78 HRH3 (0.70) DRD3HRH3HRH4NPC1RAB9A
SCHEMBL11707869 0.77 XDH (0.49)
SCHEMBL28426065 0.77 HRH4 (0.62) DRD3HRH3HRH4NPC1RAB9A
SCHEMBL213144 0.77 PDE3B (0.50) DRD3SIGMAR1DRD2
SCHEMBL601440 0.76 HRH4 (0.85) DRD3HRH4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 DRD3 4551/4885HRH3 1553/4885HRH4 1909/4885

“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.