SCHEMBL3863448

SCHEMBL3863448

CN(CCc1ccc(Br)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.52
LTB4R2 Q9NPC1 7/20 0.52
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
MLYCD O95822 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
NPY5R Q15761 1/20 0.44
TSHR P16473 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
SCHEMBL13181407 0.91 LTB4R (0.56) LTB4RLTB4R2ALDH1A1MAPTHPGD
SCHEMBL23291183 0.89 LTB4R (0.54) LTB4RLTB4R2ALDH1A1KDM4EMLYCD
SCHEMBL206739 0.86 LTB4R (0.52) LTB4RLTB4R2ALDH1A1MAPTHPGD
SCHEMBL13683271 0.86 LTB4R (0.52) LTB4RLTB4R2ALDH1A1MLYCDNPY5R
SCHEMBL1901573 0.86 CHRNB2 (0.53) ALDH1A1KDM4EMAPTHPGDFABP7
SCHEMBL3859118 0.84 LTB4R (0.50) LTB4RLTB4R2ALDH1A1MLYCDNPY5R
SCHEMBL8233693 0.84 LTB4R (0.50) LTB4RLTB4R2ALDH1A1MLYCDNPY5R
SCHEMBL206963 0.84 LTB4R (0.50) LTB4RLTB4R2ALDH1A1MAPTHPGD
SCHEMBL7367495 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHPGD
SCHEMBL14357352 0.83 LTB4R (0.52) LTB4RLTB4R2MLYCDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 LTB4R 899/4885LTB4R2 1241/4885ALDH1A1 4184/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 LTB4R 899/4885LTB4R2 1241/4885ALDH1A1 4184/4885

“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.