SCHEMBL9966496

SCHEMBL9966496

COC(=O)C1(c2ccc(-c3cnc(-n4c(C)ccc4C)nc3)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
HRH3 Q9Y5N1 1/20 0.43
AKT1 P31749 1/20 0.41
LPAR1 Q92633 3/20 0.37
KDM4E B2RXH2 1/20 0.36
AGTR1 P30556 1/20 0.36
QPCT Q16769 3/20 0.36
ACACB O00763 2/20 0.35
MAP4K4 O95819 1/20 0.35
HDAC1 Q13547 1/20 0.33

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
SCHEMBL9966493 0.86 MAP4K4 (0.46) IDO1LPAR1KDM4EMAP4K4
SCHEMBL9966507 0.81 ALOX5AP (0.47) IDO1HRH3AKT1MAP4K4
SCHEMBL14325148 0.79 IDO1 (0.44) IDO1HDAC1
SCHEMBL9966564 0.79 IDO1 (0.44) IDO1KDM4EHDAC1
SCHEMBL9966359 0.78 AKT1 (0.37) IDO1AKT1
SCHEMBL9966503 0.75 IDO1 (0.41) IDO1HDAC1
SCHEMBL14712079 0.74 HRH3 (0.49) IDO1HRH3KDM4EHDAC1
SCHEMBL3486450 0.73 MAPT (0.51) HRH3KDM4E
SCHEMBL3485457 0.70 MAPT (0.54) HRH3KDM4E
SCHEMBL20919712 0.69 KDR (0.41) IDO1HRH3AKT1

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
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S IDO1 819/4885HRH3 121/4885AKT1 2721/4885

“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.