SCHEMBL6346302

SCHEMBL6346302

O=C(CNc1ccccn1)N1CCC(Nc2cccnc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.51
SIGLEC9 Q9Y336 2/20 0.50
EPHX2 P34913 1/20 0.50
EGFR P00533 1/20 0.48
BTK Q06187 1/20 0.48
TSHR P16473 1/20 0.46
GRIN2B Q13224 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
C3AR1 Q16581 1/20 0.41
SCD O00767 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL6345789 0.89 EPHX2 (0.56) SIGLEC9EPHX2GRIN2BCYP3A4CYP2D6
SCHEMBL6343564 0.85 NOS2 (0.61) NOS2EPHX2EGFRBTKGRIN2B
SCHEMBL6985709 0.77 SIGLEC9 (0.45) SIGLEC9EPHX2SCD
SCHEMBL6355548 0.77 CYP2D6 (0.48) NOS2EPHX2GRIN2BCYP2D6CYP2C9
SCHEMBL6987185 0.75 SIGLEC9 (0.45) SIGLEC9EPHX2C3AR1SCDDRD2
SCHEMBL6346657 0.74 SCD (0.56) EPHX2GRIN2BCYP2C9SCD
SCHEMBL6356500 0.73 EPHX2 (0.53) NOS2EPHX2GRIN2BSCD
SCHEMBL6347296 0.73 SIGLEC9 (0.49) NOS2SIGLEC9EPHX2EGFRBTK
Hydrochloric Acid SCHEMBL6983385 0.72 SIGLEC9 (0.40) SIGLEC9EPHX2BTKSCD
SCHEMBL23013515 0.72 SIGLEC9 (0.57) SIGLEC9EPHX2EGFRBTKGRIN2B

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
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 NOS2 3577/4885SIGLEC9 667/4885EPHX2 1259/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 NOS2 3536/4885SIGLEC9 925/4885EPHX2 1576/4885

“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.