SCHEMBL215117

SCHEMBL215117

Nc1ccc(OC2CCN(C(=O)O)CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.49
CCR3 P51677 14/20 0.49
KCNH2 Q12809 8/20 0.47
EPHX2 P34913 3/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LRRK2 Q5S007 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2J2 P51589 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL216274 0.87 SRD5A1 (0.43) HRH1CCR3EPHX2HRH3
SCHEMBL5109347 0.87 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL27900147 0.84 HRH1 (0.49) HRH1CCR3KCNH2EPHX2CYP2C9
SCHEMBL12485444 0.84 GPR119 (0.46) HRH1CCR3EPHX2HRH3FFAR4
SCHEMBL216865 0.84 CCR5 (0.44) EPHX2HRH3
SCHEMBL214556 0.83 GPR119 (0.56) HRH3
SCHEMBL20570794 0.82 HRH1 (0.50) HRH1CCR3KCNH2EPHX2FFAR4
SCHEMBL6341704 0.81 EPHX2 (0.42) HRH1CCR3EPHX2HRH3
SCHEMBL22462743 0.81 HRH1 (0.49) HRH1CCR3KCNH2EPHX2CYP2C9
SCHEMBL213590 0.81 SRD5A1 (0.50) EPHX2HRH3

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-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
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 HRH1 1368/4885CCR3 1011/4885KCNH2 2774/4885

“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.