SCHEMBL3662599

SCHEMBL3662599

CN1CCN(C(=O)c2cc(O)cc(I)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
HPGD P15428 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 4/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SERPINE1 P05121 1/20 0.47
ALOX15 P16050 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HSP90AA1 P07900 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRM5 P41594 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9987747 0.85 MGLL (0.57) MGLLHPGDTSHRSERPINE1
SCHEMBL2261772 0.83 POLB (0.54) HPGDL3MBTL1TSHRPOLBKMT2A
SCHEMBL2263300 0.80 POLB (0.57) L3MBTL1TSHRPOLBTP53
SCHEMBL14663384 0.77 HPGD (0.59) MGLLHPGDTSHRPOLBKMT2A
SCHEMBL25975340 0.76 KMT2A (0.48) HPGDL3MBTL1TSHRPOLBKMT2A
SCHEMBL2235076 0.76 POLB (0.69) HPGDL3MBTL1TSHRPOLBKMT2A
SCHEMBL7363942 0.75 HPGD (0.65) MGLLHPGDL3MBTL1TSHRPOLB
SCHEMBL2473996 0.74 POLB (0.71) HPGDL3MBTL1TSHRPOLBKMT2A
SCHEMBL13503815 0.74 HPGD (0.70) HPGDL3MBTL1TSHRPOLBKMT2A
SCHEMBL10724841 0.73 POLB (0.81) HPGDL3MBTL1TSHRPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
CN-101903369-A Leukotriene B 4 inhibitors HOFFMANN LA ROCHE 2010-12-01 CN disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S MGLL 90/4885HPGD 73/4885L3MBTL1 1372/4885

“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.