SCHEMBL5867995

SCHEMBL5867995

O=C(CN(C(=O)OCc1ccccc1)c1ccccc1)NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
F10 P00742 9/20 0.44
CYP3A4 P08684 3/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM4 P08173 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
SCHEMBL5867967 0.82 OPRM1 (0.44) GRIN2BACHE
SCHEMBL5868070 0.82 SIGMAR1 (0.44) GRIN2BCYP2D6CYP2C9ACHEKDM4E
SCHEMBL5868136 0.80 KDM1A (0.45) ITGB3ITGA2BTSHR
SCHEMBL5868096 0.80 LTA4H (0.41) GRIN2BCYP2D6CYP2C9ACHECHRM4
SCHEMBL5867867 0.79 KDM4E (0.57) GRIN2BCYP2D6CYP2C9CYP3A4KDM4E
SCHEMBL7091228 0.79 F10 (0.54) GRIN2BCYP2D6CYP2C9F10KDM4E
SCHEMBL7086594 0.77 KDM4E (0.65) GRIN2BF10KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5868319 0.75 F10 (0.53) CYP2D6F10CYP3A4ACHEKDM4E
SCHEMBL5867974 0.75 CHRM4 (0.46) ACHECHRM4
SCHEMBL5868178 0.73 F10 (0.48) F10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN GRIN2B 4207/4885CYP2D6 3067/4885CYP2C9 2658/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 GRIN2B 4499/4885CYP2D6 2052/4885CYP2C9 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.