SCHEMBL6344609

SCHEMBL6344609

O=C(CN(C(=O)OCc1ccccc1)c1ccccc1)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
GRIN2B Q13224 6/20 0.43
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM5 P08912 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM5A P29375 1/20 0.39
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SCD O00767 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37

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
SCHEMBL6369665 0.79 ALDH1A1 (0.47) GRIN2BCHRM2CHRM1CHRM3CHRM5
SCHEMBL6347249 0.79 ACHE (0.47) EPHX2CHRM1CHRM3CHRM5NPC1
SCHEMBL9095901 0.77 CHRM1 (0.49) CHRM2CHRM1CHRM3CHRM5SMN1; SMN2
SCHEMBL6347242 0.76 KDM4E (0.43) EPHX2RIPK1SMN1; SMN2KDM5AALDH1A1
SCHEMBL4832645 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRM5SMN1; SMN2
SCHEMBL6421717 0.75 LMNA (0.44) GRIN2BCHRM2CHRM1CHRM3CHRM5
SCHEMBL6344507 0.75 EPHX2 (0.44) EPHX2GPR119RIPK1KDM5A
SCHEMBL5152829 0.74 EPHX2 (0.63) EPHX2GPR119RIPK1KDM5A
SCHEMBL6344306 0.73 EPHX2 (0.40) EPHX2RIPK1KDM5ASCDCYP3A4
SCHEMBL4840733 0.73 KDM4E (0.46) CHRM2CHRM1CHRM3CHRM5ALDH1A1

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 1259/4885GRIN2B 4258/4885CHRM2 3696/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885GRIN2B 4499/4885CHRM2 3822/4885

“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.