SCHEMBL5868038

SCHEMBL5868038

COc1ccccc1N(CC(=O)NCC1CCN(C2CCCC2)CC1)C(=O)c1ccc2c(C)c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPY1R P25929 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
F10 P00742 4/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
TACR1 P25103 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL5868222 0.92 F10 (0.43) SMN1; SMN2NPY1RNPSR1NPC1TP53
SCHEMBL5868125 0.90 MEN1 (0.41) NPSR1F10CHRM2
SCHEMBL5868300 0.88 F10 (0.41) SMN1; SMN2F10HPGDALDH1A1KDM4E
SCHEMBL5868270 0.87 ALDH1A1 (0.44) SMN1; SMN2NPY1RNPSR1NPC1TP53
Hydrochloric Acid SCHEMBL5868209 0.87 HDAC1 (0.38) SMN1; SMN2NPSR1F10TACR1ALDH1A1
SCHEMBL5867993 0.84 LMNA (0.36) NPSR1TP53F10HPGDLMNA
SCHEMBL6177113 0.80 KMT2A (0.38) SMN1; SMN2F10ALDH1A1KDM4E
SCHEMBL5868199 0.79 F10 (0.40) F10
Trifluoroacetic Acid SCHEMBL5868135 0.78 F10 (0.43) F10HPGDACHECHRM2
Hydrochloric Acid SCHEMBL5868092 0.78 HDAC1 (0.38) F10ACHE

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 7 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-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 (2 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 SMN1; SMN2 2023/4885NPY1R 584/4885NPSR1 710/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SMN1; SMN2 1756/4885NPY1R 548/4885NPSR1 1010/4885

“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.