SCHEMBL4840472

SCHEMBL4840472

c1cnnc(CCN2CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 5/20 0.45
SLC6A4 P31645 2/20 0.44
CXCR4 P61073 1/20 0.41
KCNH2 Q12809 2/20 0.40
KCNJ1 P48048 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM1A O60341 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL24984263 0.83 CXCR4 (0.54) L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1
Hydrochloric Acid SCHEMBL29232360 0.82 CXCR4 (0.53) L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1
Hydrochloric Acid SCHEMBL30918505 0.82 CXCR4 (0.53) L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1
SCHEMBL931507 0.79 L3MBTL1 (0.67) L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1
Hydrochloric Acid SCHEMBL29232308 0.77 CXCR4 (0.62) SIGMAR1CXCR4CHRM2CHRM1
SCHEMBL9472041 0.73 SLC6A4 (0.47) L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1
SCHEMBL30962968 0.73 SIGMAR1 (0.41) L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1
SCHEMBL7370547 0.73 SIGMAR1 (0.44) L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1
SCHEMBL3079246 0.72 CYP1A2 (0.47) KCNH2CYP2D6CHRM1
SCHEMBL4832659 0.71 SIGMAR1 (0.53) SIGMAR1SLC6A4KCNH2KCNJ1CYP3A4

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 11 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
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN 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 L3MBTL1 116/4885ALDH1A1 2408/4885ALOX15 536/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 L3MBTL1 332/4885ALDH1A1 2261/4885ALOX15 390/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 L3MBTL1 332/4885ALDH1A1 2261/4885ALOX15 390/4885

“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.