SCHEMBL4840307

SCHEMBL4840307

COc1ccc(C(=O)N(CC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 8/20 0.51
ORAI1 Q96D31 1/20 0.51
ACHE P22303 1/20 0.50
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4842187 0.99 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL6216961 0.92 ACHE (0.52) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL4832630 0.91 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL4844682 0.91 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL6219313 0.91 ACHE (0.51) ALDH1A1TSHRKMT2AKDM4EORAI1
Hydrochloric Acid SCHEMBL4841000 0.90 KDM4E (0.49) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL4843989 0.90 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL6213876 0.89 ACHE (0.54) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL4837123 0.88 BCHE (0.48) ALDH1A1TSHRKMT2AKDM4EORAI1
SCHEMBL6216563 0.87 ACHE (0.58) ALDH1A1KMT2AKDM4EORAI1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 ALDH1A1 2408/4885TSHR 1822/4885KMT2A 2452/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885TSHR 3787/4885KMT2A 3308/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885TSHR 3787/4885KMT2A 3308/4885

“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.