SCHEMBL122835

SCHEMBL122835

O=C(O)N1CCN(c2cccnc2N2CCC(O)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.45
MALT1 Q9UDY8 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RBP4 P02753 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
KCNMA1 Q12791 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL122104 0.83 GPR119 (0.56) GAAHRH3TRPV1TRPA1PDE10A
SCHEMBL123806 0.80 HTR2C (0.55) KDM4EALDH1A1KCNMA1
Hydrochloric Acid SCHEMBL122071 0.78 HTR2C (0.54) KDM4EALDH1A1KCNMA1
SCHEMBL20139820 0.77 HSD11B1 (0.48) KMT2AHSD11B1GAAKDM4ERBP4
SCHEMBL2217096 0.75 HTR2A (0.60) GAAKDM4EALDH1A1MAPTTRPV1
SCHEMBL2335427 0.75 GAA (0.47) KMT2AHSD11B1GAAKDM4EALDH1A1
SCHEMBL21384410 0.75 KDM4E (0.47) KMT2AHSD11B1GAAKDM4EALDH1A1
SCHEMBL21384360 0.75 TRPV1 (0.51) KMT2AHSD11B1GAAKDM4EALDH1A1
SCHEMBL20339483 0.75 TRPV1 (0.61) KMT2AHSD11B1GAAALDH1A1TRPV1
SCHEMBL5693374 0.75 TRPA1 (0.64) MALT1TRPV1TRPA1

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-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
EP-2201002-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-30 EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C KMT2A 2688/4885HSD11B1 1707/4885MALT1 4283/4885

“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.