SCHEMBL5868431

SCHEMBL5868431

O=C(CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGL P06737 17/20 0.47
HRH4 Q9H3N8 1/20 0.44
MDM2 Q00987 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL7254522 0.93 HRH4 (0.47) PYGLHRH4SMYD3
SCHEMBL5868019 0.90 PYGL (0.43) PYGLHRH4MDM2SMYD3
Trifluoroacetic Acid SCHEMBL5868250 0.89 HRH4 (0.43) PYGLHRH4SMYD3
SCHEMBL5868163 0.88 PYGL (0.47) PYGLHRH4MDM2
Hydrochloric Acid SCHEMBL5868302 0.86 PYGL (0.41) PYGLHRH4MDM2
Trifluoroacetic Acid SCHEMBL5867893 0.83 PYGL (0.44) PYGLSMYD3
Trifluoroacetic Acid SCHEMBL5868041 0.81 PYGL (0.42) PYGL
SCHEMBL5868411 0.77 PYGL (0.43) PYGLHRH4SMYD3
SCHEMBL5868023 0.77 KDM4E (0.48) SMYD3
SCHEMBL5868145 0.77 ALDH1A1 (0.50) SMYD3

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 9 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-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 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 (3 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 PYGL 217/4885HRH4 3847/4885MDM2 4507/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 PYGL 239/4885HRH4 3323/4885MDM2 4267/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 PYGL 532/4885HRH4 87/4885MDM2 1021/4885

“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.