SCHEMBL4683261

SCHEMBL4683261

CN(C)Cc1c(-c2ccccc2)ccc(N2CCCC(Oc3cccc(C#N)c3)C2=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.42
MCHR1 Q99705 3/20 0.37
CHRM3 P20309 1/20 0.36
CNR1 P21554 1/20 0.35
MGLL Q99685 3/20 0.35
PAX8 Q06710 1/20 0.34
FPR2 P25090 1/20 0.33
CHRM4 P08173 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL4683540 0.86 F10 (0.41) F10MCHR1FPR2
SCHEMBL6983572 0.85 F10 (0.48) F10MCHR1CHRM3MGLLPAX8
SCHEMBL4679663 0.75 F10 (0.73) F10FPR2
SCHEMBL4686315 0.74 F10 (0.45) F10MCHR1MGLLFPR2CHRM4
SCHEMBL6988835 0.71 F10 (0.47) F10MCHR1FPR2
SCHEMBL7091175 0.69 F10 (0.46) F10MCHR1FPR2
SCHEMBL4680777 0.69 ROCK2 (0.40) F10FPR2
SCHEMBL6984323 0.68 F10 (0.48) F10FPR2SLC6A9
SCHEMBL6984298 0.65 F10 (0.51) F10MCHR1FPR2
SCHEMBL4680125 0.65 F10 (0.44) F10MCHR1

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 12 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 claimed
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US claimed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
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-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
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

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-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885MCHR1 2420/4885CHRM3 4083/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885MCHR1 2420/4885CHRM3 4083/4885

“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.