SCHEMBL6344009

SCHEMBL6344009

O=C(CNc1ccccc1)N1CCC(Oc2ccncc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.60
EPHX2 P34913 3/20 0.57
CYP2C9 P11712 3/20 0.51
CYP2J2 P51589 2/20 0.51
EGLN1 Q9GZT9 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 3/20 0.47
CYP2D6 P10635 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL7368825 0.87 EPHX2 (0.59) SCDEPHX2CYP2C9EGLN1KDM4E
SCHEMBL6346657 0.86 SCD (0.56) SCDEPHX2CYP2C9CYP2J2GRIN2B
SCHEMBL6354166 0.82 EPHX2 (0.57) SCDEPHX2NAMPT
SCHEMBL6345619 0.82 SCD (0.52) SCDEGLN1KDM4EALDH1A1HTT
SCHEMBL6355548 0.80 CYP2D6 (0.48) SCDEPHX2CYP2C9EGLN1KDM4E
SCHEMBL6421169 0.80 GRIN2B (0.66) CYP2C9EGLN1KDM4EALDH1A1HTT
SCHEMBL6346087 0.80 SCD (0.51) SCDEPHX2CYP2C9CYP2J2L3MBTL1
SCHEMBL2637558 0.79 EPHX2 (0.52) SCDEPHX2CYP2C9CYP2J2MAPT
SCHEMBL4577340 0.79 SCD (0.56) SCDEPHX2KDM4EALDH1A1HTT
SCHEMBL639198 0.79 EPHX2 (0.60) EPHX2CYP2C9CYP2J2MAPTL3MBTL1

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 SCD 343/4885EPHX2 1259/4885CYP2C9 2462/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SCD 551/4885EPHX2 1576/4885CYP2C9 2235/4885

“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.