SCHEMBL4844807

SCHEMBL4844807

CN1CCC(N2CCN(C(=O)CNc3cccc4ccccc34)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
CYP2C19 P33261 1/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
CCKBR P32239 1/20 0.45
ACHE P22303 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
CALCRL Q16602 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
Hydrochloric Acid SCHEMBL4832494 0.99 KDM4E (0.51) KDM4EALDH1A1HSD17B10CYP2C19ACACB
SCHEMBL4832356 0.84 KRAS (0.51) KDM4EALDH1A1ACHEL3MBTL3L3MBTL1
SCHEMBL4845033 0.83 HPGD (0.44) KDM4EALDH1A1HSD17B10ACHEL3MBTL3
SCHEMBL4832498 0.82 METAP2 (0.45) KDM4EALDH1A1CYP2C19ACHEL3MBTL3
SCHEMBL4832287 0.81 SCD (0.50) KDM4EALDH1A1ACHEL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL4832370 0.81 MAPT (0.53) ACACBACACAACHEL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL4832679 0.80 ACHE (0.54) KDM4EALDH1A1CYP2C19ACACBACACA
SCHEMBL6217208 0.77 ACHE (0.59) KDM4EALDH1A1CYP2C19ACHEL3MBTL3
SCHEMBL14325633 0.74 L3MBTL3 (0.55) ALDH1A1ACHEL3MBTL3L3MBTL1MEN1
SCHEMBL6986879 0.73 KMT2A (0.42) KDM4EALDH1A1ACHEL3MBTL3L3MBTL1

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-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
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 KDM4E 3205/4885ALDH1A1 2408/4885HSD17B10 1160/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885ALDH1A1 2261/4885HSD17B10 1208/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885ALDH1A1 2261/4885HSD17B10 1208/4885

“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.