SCHEMBL881899

SCHEMBL881899

N/C(=N\O)C1(c2ccc(Br)cn2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
PLAU P00749 1/20 0.36
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
AKR1C3 P42330 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL29705629 0.83 OPRM1 (0.45) ADRA2AADRA2BADRA2CPLAUTSHR
SCHEMBL9989186 0.83 OPRM1 (0.45) ADRA2AADRA2BADRA2CPLAUTSHR
SCHEMBL29551637 0.78 TSHR (0.43) TSHROPRM1OPRL1AKR1C3HDAC3
SCHEMBL9936597 0.78 TSHR (0.43) TSHROPRM1OPRL1AKR1C3HDAC3
SCHEMBL15415643 0.74 TSHR (0.40) ADRA2AADRA2BADRA2CPLAUTSHR
SCHEMBL881575 0.74 TSHR (0.38) ADRA2AADRA2BADRA2CPLAUTSHR
SCHEMBL29551162 0.74 TSHR (0.42) TSHRAKR1C3HDAC3HDAC1HDAC7
SCHEMBL9966412 0.74 TSHR (0.42) TSHRAKR1C3HDAC3HDAC1HDAC7
SCHEMBL9987096 0.71 OPRL1 (0.49) ADRA2AADRA2BADRA2CPLAUTSHR
SCHEMBL881576 0.69 MAP4K4 (0.37) ADRA2AADRA2BADRA2CAKR1C3

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-2619197-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP disclosed
US-8575201-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-8575201-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
WO-2012040139-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 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-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 ADRA2A 1047/4885ADRA2B 537/4885ADRA2C 907/4885

“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.