SCHEMBL9966337

SCHEMBL9966337

OCC(c1ccc(Br)cc1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MITF O75030 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL23536155 0.92 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3POLBFFAR1
SCHEMBL17609123 0.92 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3POLBFFAR1
SCHEMBL17892192 0.81 HTR2A (0.44) SLC6A2SLC6A4SLC6A3POLBKMT2A
SCHEMBL17892193 0.81 HTR2A (0.44) SLC6A2SLC6A4SLC6A3POLBKMT2A
SCHEMBL9153116 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3POLBKMT2A
SCHEMBL7428096 0.81 MEN1 (0.55) KMT2AMEN1LMNAFFAR1
SCHEMBL17892061 0.80 HTR2A (0.43) SLC6A2SLC6A4SLC6A3POLBKMT2A
SCHEMBL17892140 0.80 HTR2A (0.43) SLC6A2SLC6A4SLC6A3POLBKMT2A
SCHEMBL17892060 0.80 HTR2A (0.43) SLC6A2SLC6A4SLC6A3POLBKMT2A
SCHEMBL7237143 0.80 HTR2A (0.43) SLC6A2SLC6A4SLC6A3POLBKMT2A

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 SLC6A2 3722/4885SLC6A4 4097/4885SLC6A3 4668/4885

“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.