SCHEMBL6421169

SCHEMBL6421169

O=C(CNc1ccccc1)N1CCC(CNc2ccncc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.66
CYP2D6 P10635 4/20 0.66
CYP2C9 P11712 4/20 0.66
CYP3A4 P08684 3/20 0.54
EGLN1 Q9GZT9 1/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL7096292 0.88 GRIN2B (0.52) GRIN2BCYP2D6CYP2C9CYP3A4EGLN1
SCHEMBL5409925 0.87 GRIN2B (0.55) GRIN2BCYP2D6CYP2C9CYP3A4FAAH
SCHEMBL20775269 0.85 GRIN2B (0.66) GRIN2BCYP2D6CYP2C9CYP3A4CARM1
SCHEMBL5399959 0.85 GRIN2B (0.53) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL6355548 0.85 CYP2D6 (0.48) GRIN2BCYP2D6CYP2C9EGLN1CARM1
SCHEMBL6369662 0.81 ALDH1A1 (0.49) GRIN2BEGLN1BRD4KDM4EALDH1A1
SCHEMBL3650096 0.81 GRIN2B (0.56) GRIN2BCYP2D6CYP2C9CYP3A4CARM1
SCHEMBL6344009 0.80 SCD (0.60) GRIN2BCYP2D6CYP2C9EGLN1KDM4E
SCHEMBL5348026 0.80 GRIN2B (1.00) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL4577310 0.79 FAAH (0.68) GRIN2BALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 US disclosed
WO-2001096304-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 (1 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-20020151724-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.