SCHEMBL6356500

SCHEMBL6356500

O=C(CNc1ccccn1)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
SCD O00767 14/20 0.52
RIPK1 Q13546 1/20 0.47
KDM5A P29375 1/20 0.47
GRIN2B Q13224 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
NOS2 P35228 1/20 0.46

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
SCHEMBL6354166 0.89 EPHX2 (0.57) EPHX2SCDRIPK1
SCHEMBL6346657 0.86 SCD (0.56) EPHX2SCDGRIN2BHRH3
SCHEMBL5152829 0.79 EPHX2 (0.63) EPHX2RIPK1KDM5AHRH3
SCHEMBL6984405 0.78 SCD (0.50) EPHX2SCD
Hydrochloric Acid SCHEMBL23928369 0.77 EPHX2 (0.62) EPHX2RIPK1KDM5AHRH3
SCHEMBL17869267 0.77 EPHX2 (0.62) EPHX2RIPK1KDM5AHRH3
SCHEMBL14413042 0.77 EPHX2 (0.65) EPHX2SCDRIPK1KDM5A
SCHEMBL30729521 0.76 KDM5A (0.58) EPHX2RIPK1KDM5AHRH3NOS2
SCHEMBL6981269 0.76 SCD (0.52) EPHX2SCD
SCHEMBL12791430 0.76 KDM5A (0.58) EPHX2RIPK1KDM5AHRH3NOS2

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 EPHX2 1259/4885SCD 343/4885RIPK1 1799/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885SCD 551/4885RIPK1 1870/4885

“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.