SCHEMBL6421717

SCHEMBL6421717

O=C(CN(C(=O)OCc1ccccc1)c1ccccc1)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 1/20 0.41
ACHE P22303 1/20 0.41
OPRK1 P41145 1/20 0.41
CCR5 P51681 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6369665 0.86 ALDH1A1 (0.47) LMNAMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL4838599 0.85 KDM4E (0.44) LMNAMEN1KMT2AALDH1A1CHRM2
SCHEMBL13661587 0.80 SMN1; SMN2 (0.64) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9095901 0.80 CHRM1 (0.49) LMNAMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL4832645 0.78 CHRM2 (0.44) LMNAMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL13661150 0.76 SMN1; SMN2 (0.58) MEN1KMT2AHRH3SMN1; SMN2RAB9A
SCHEMBL6376440 0.76 ACHE (0.56) LMNAMEN1KMT2AALDH1A1CHRM2
SCHEMBL25602813 0.76 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4840733 0.76 KDM4E (0.46) ALDH1A1SIGMAR1CHRM2CHRM5CHRM1
SCHEMBL6344609 0.75 EPHX2 (0.46) LMNAMEN1KMT2AALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 US disclosed
WO-2001096304-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 (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-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 LMNA 70/4885MEN1 1959/4885KMT2A 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.