SCHEMBL4683395

SCHEMBL4683395

O=C1C(Br)CCCN1c1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.40
CCR2 P41597 4/20 0.40
F10 P00742 10/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 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
SCHEMBL6860135 0.91 CCR1 (0.39) CCR1CCR2ALDH1A1TSHR
SCHEMBL4683544 0.84 CCR1 (0.42) CCR1CCR2F10ALDH1A1TSHR
SCHEMBL4475463 0.79 F10 (0.54) F10ALDH1A1FPR1FPR2
SCHEMBL20581625 0.78 FPR2 (0.46) CCR1CCR2F10FPR1FPR2
SCHEMBL20581623 0.78 FPR2 (0.46) CCR1CCR2F10FPR1FPR2
SCHEMBL28395450 0.77 CCR1 (0.40) CCR1CCR2F10ALDH1A1FPR1
SCHEMBL28395449 0.77 CCR1 (0.40) CCR1CCR2F10ALDH1A1FPR1
Hydrochloric Acid SCHEMBL6365285 0.77 KDM1A (0.39) CCR1CCR2F10TSHR
SCHEMBL31642786 0.76 HSD17B10 (0.46) CCR1CCR2F10ALDH1A1TSHR
SCHEMBL5880744 0.76 HSD17B10 (0.46) CCR1CCR2F10ALDH1A1TSHR

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 10 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 CCR1 434/4885CCR2 1165/4885F10 9/4885
US-20030087909-A1 Fused heterocyclic inhibitors of factor Xa TFPI, F11, F12 CCR1 3879/4885CCR2 4483/4885F10 9/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 CCR1 434/4885CCR2 1165/4885F10 9/4885

“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.