SCHEMBL5872832

SCHEMBL5872832

COc1ccc(C(=O)N(CC(=O)NCC2CCN(C(C)C)CC2)c2ccccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
FAAH O00519 1/20 0.43
ROCK2 O75116 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR4 Q13639 1/20 0.38
F10 P00742 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCR3 P49682 1/20 0.37
SLC6A9 P48067 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
SCHEMBL5868288 0.90 ACHE (0.44) ACHEFAAHROCK2NPC1TP53
SCHEMBL6175556 0.90 ACHE (0.44) ACHEFAAHROCK2NPC1TP53
SCHEMBL5868248 0.90 ACHE (0.44) ACHEFAAHROCK2NPC1TP53
SCHEMBL5868151 0.90 ACHE (0.43) ACHEFAAHROCK2NPC1TP53
SCHEMBL5868021 0.90 ACHE (0.43) ACHEFAAHROCK2NPC1TP53
Hydrochloric Acid SCHEMBL5867843 0.90 SMN1; SMN2 (0.49) ACHEFAAHROCK2NPC1TP53
SCHEMBL5868045 0.90 ACHE (0.43) ACHEFAAHROCK2NPC1TP53
SCHEMBL6175005 0.90 ACHE (0.45) ACHEFAAHROCK2NPC1TP53
SCHEMBL5868242 0.90 ACHE (0.43) ACHEFAAHROCK2NPC1TP53
Hydrochloric Acid SCHEMBL6176069 0.90 ROCK2 (0.44) ACHEFAAHROCK2NPC1TP53

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 4 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-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US 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 (1 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 ACHE 2079/4885FAAH 652/4885ROCK2 2919/4885

“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.