SCHEMBL9966338

SCHEMBL9966338

C=C(c1ccc(Br)cc1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
CCR5 P51681 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
EPHX2 P34913 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
HPGD P15428 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM3 P20309 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
SCHEMBL28965092 0.94 CCR5 (0.43) POLBRAB9AATMCCR5HDAC3
SCHEMBL18905527 0.79 CHRM2 (0.38) POLBCHRM2CHRM1CHRM4CHRM3
SCHEMBL1934073 0.78 ELANE (0.42) POLBRAB9AHPGD
SCHEMBL18905522 0.78 CHRM2 (0.40) POLBRAB9AATMCHRM2CHRM1
SCHEMBL23590896 0.77 MEN1 (0.50) POLBHPGDL3MBTL3L3MBTL1
SCHEMBL5734309 0.77 POLB (0.45) POLBRAB9AEPHX2CHRM2CHRM1
SCHEMBL29010480 0.77 MAPT (0.46) RAB9ACHRM2CHRM1HPGDCHRM3
SCHEMBL394357 0.77 POLB (0.45) POLBRAB9AEPHX2CHRM2CHRM1
SCHEMBL4770419 0.75 SRD5A2 (0.59) POLBRAB9AATMHDAC3HDAC1
SCHEMBL6858730 0.74 MTNR1A (0.41) POLBATMHPGD

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 POLB 1304/4885RAB9A 1585/4885ATM 4584/4885

“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.