SCHEMBL6606774

SCHEMBL6606774

CN(C)Cc1nccn1-c1ccc2c(c1)CCN2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
F10 P00742 12/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MAP3K11 Q16584 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 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
SCHEMBL6505195 0.86 F10 (0.45) CYP11B2F10DRD2DRD4MAP3K11
SCHEMBL8268238 0.72 F10 (0.43) F10ALDH1A1
SCHEMBL8267982 0.71 F10 (0.48) F10
SCHEMBL5395497 0.71 F10 (0.43) F10HRH3
SCHEMBL16361760 0.70 CYP3A4 (0.43) F10ALDH1A1
SCHEMBL1028976 0.70 F10 (0.45) F10
SCHEMBL8262173 0.70 F10 (0.47) F10
SCHEMBL4656327 0.70 F10 (0.52) F10
SCHEMBL4627021 0.70 F10 (0.46) F10
SCHEMBL5626795 0.69 CYP11B2 (0.45) CYP11B2DRD2DRD4MAP3K11

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 6 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 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
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
EP-1196412-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001005784-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-01-25 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-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors SERPINC1, CTRB1, F2 CYP11B2 2168/4885F10 25/4885DRD2 4419/4885

“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.