SCHEMBL6609040

SCHEMBL6609040

CN(C)Cc1nccn1-c1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.81
F2 P00734 10/20 0.71
F9 P00740 2/20 0.69
CTRB1 P17538 2/20 0.69
F5 P12259 1/20 0.69
PROC P04070 1/20 0.68

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
Trifluoroacetic Acid SCHEMBL6495496 0.84 F10 (0.91) F10F2F9CTRB1F5
SCHEMBL6494300 0.84 F10 (1.00) F10F2F9CTRB1F5
Trifluoroacetic Acid SCHEMBL6502964 0.83 F10 (0.92) F10F2F9CTRB1F5
SCHEMBL6494926 0.83 F10 (1.00) F10F2F9CTRB1F5
SCHEMBL5386162 0.82 F10 (1.00) F10F2F9CTRB1F5
Razaxaban SCHEMBL29376499 0.81 F10 (1.00) F10F2F9CTRB1F5
Razaxaban SCHEMBL677372 0.81 F10 (1.00) F10F2F9CTRB1F5
Razaxaban SCHEMBL29456625 0.81 F10 (1.00) F10F2F9CTRB1F5
Razaxaban SCHEMBL6885838 0.81 F10 (1.00) F10F2F9CTRB1F5
SCHEMBL7471581 0.77 F10 (0.87) F10F2F9CTRB1PROC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP claimed
CN-1454211-A Nitrogen containing heterobicycles as factor xa inhibitors BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-05 CN claimed
US-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors JACOBSON IRINA C (US) 2003-05-22 US claimed
US-6429205-B1 ANTICOAGULANTS BRISTOL-MEYERS SQUIBB PHARMA COMPANY 2002-08-06 US claimed
EP-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP disclosed
US-6716841-B2 SUCH AS 1-((1-(3-(AMINOMETHYL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)CARBONYL) -5-(2-( AMINOSULFONYL)PHENYL)-2,3-DIHYDRO-1H-INDOLE FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS; ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-06 US disclosed
CN-1454211-A Nitrogen containing heterobicycles as factor xa inhibitors BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-05 CN disclosed
US-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors JACOBSON IRINA C (US) 2003-05-22 US disclosed
US-6429205-B1 ANTICOAGULANTS BRISTOL-MEYERS SQUIBB PHARMA COMPANY 2002-08-06 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 (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-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors SERPINC1, CTRB1, F2 F10 25/4885F2 3/4885F9 31/4885

“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.