SCHEMBL4683544

SCHEMBL4683544

O=C1C(O)CCCN1c1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.42
CCR2 P41597 5/20 0.42
ALDH1A1 P00352 2/20 0.37
F10 P00742 6/20 0.36
FPR2 P25090 4/20 0.36
FPR1 P21462 3/20 0.36
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4683395 0.84 CCR1 (0.40) CCR1CCR2ALDH1A1F10FPR2
SCHEMBL4490491 0.83 F10 (0.36) ALDH1A1F10FPR2FPR1
SCHEMBL20581625 0.80 FPR2 (0.46) CCR1CCR2F10FPR2FPR1
SCHEMBL20581623 0.80 FPR2 (0.46) CCR1CCR2F10FPR2FPR1
SCHEMBL28395450 0.79 CCR1 (0.40) CCR1CCR2ALDH1A1F10FPR2
SCHEMBL28395449 0.79 CCR1 (0.40) CCR1CCR2ALDH1A1F10FPR2
SCHEMBL6860135 0.78 CCR1 (0.39) CCR1CCR2ALDH1A1TSHRHPGD
SCHEMBL4490944 0.78 F10 (0.54) ALDH1A1F10FPR2FPR1HPGD
SCHEMBL4478595 0.76 F10 (0.55) F10FPR2FPR1
SCHEMBL4487629 0.76 ROCK2 (0.45) ALDH1A1FPR2FPR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP disclosed
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-6858616-B2 Nitrogen containing heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
EP-1140941-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-10-20 EP disclosed
US-6790845-B2 HAVING AN ATTACHED NON-AROMATIC HETEROCYCLIC RING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-14 US disclosed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
US-20030087909-A1 Fused heterocyclic inhibitors of factor Xa BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US disclosed
US-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors FEVIG JOHN M (US) 2003-04-10 US disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 US disclosed
WO-2002080853-A2 FUSED HETEROCYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-17 WO disclosed
US-6413980-B1 INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES; ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-02 US disclosed
EP-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 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 (4 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-20030069237-A1 Nitrogen containing heterobicycles as factor Xa inhibitors F12, F11, F10 CCR1 4311/4885CCR2 4362/4885ALDH1A1 4792/4885
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 CCR1 434/4885CCR2 1165/4885ALDH1A1 2263/4885
US-20030087909-A1 Fused heterocyclic inhibitors of factor Xa TFPI, F11, F12 CCR1 3879/4885CCR2 4483/4885ALDH1A1 2451/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 CCR1 434/4885CCR2 1165/4885ALDH1A1 2263/4885

“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.