SCHEMBL4686315

SCHEMBL4686315

N#Cc1cccc(OC2CCCN(c3ccc(Br)cc3F)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
ROCK2 O75116 1/20 0.44
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MGLL Q99685 3/20 0.37
CHRM4 P08173 1/20 0.36
GPR6 P46095 1/20 0.35
FPR2 P25090 2/20 0.35
DCK P27707 1/20 0.35
MCHR1 Q99705 4/20 0.34
GRIA2 P42262 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
SCHEMBL4679663 0.80 F10 (0.73) F10FPR2
SCHEMBL6983572 0.75 F10 (0.48) F10MGLLFPR2MCHR1
SCHEMBL4683261 0.74 F10 (0.42) F10MGLLCHRM4FPR2MCHR1
SCHEMBL28395450 0.73 CCR1 (0.40) F10FPR2
SCHEMBL28395449 0.73 CCR1 (0.40) F10FPR2
SCHEMBL6859651 0.71 ALDH1A1 (0.38) F10GPR6FPR2
SCHEMBL4683395 0.71 CCR1 (0.40) F10FPR2
SCHEMBL4683544 0.70 CCR1 (0.42) F10FPR2
SCHEMBL28395444 0.68 F10 (0.40) F10FPR2
SCHEMBL6859578 0.67 ALDH1A1 (0.36) F10GPR6FPR2

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 5 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-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 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

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-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885ROCK2 3860/4885SLC6A2 4384/4885

“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.