SCHEMBL122104

SCHEMBL122104

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
POLB P06746 1/20 0.51
HRH3 Q9Y5N1 2/20 0.47
TRPV1 Q8NER1 2/20 0.47
KIT P10721 2/20 0.46
GBA1 P04062 1/20 0.46
TRPA1 O75762 1/20 0.46
PDE10A Q9Y233 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL8923132 0.88 POLB (0.55) GPR119POLBTRPV1KITGBA1
SCHEMBL122835 0.83 KMT2A (0.47) HRH3TRPV1TRPA1PDE10AGAA
SCHEMBL761090 0.82 POLB (0.56) GPR119POLBTRPV1KITGBA1
SCHEMBL21384389 0.81 GPR119 (0.55) GPR119POLBTRPV1KITGBA1
SCHEMBL31651654 0.81 GPR119 (0.55) GPR119POLBTRPV1KITGBA1
SCHEMBL2715768 0.81 POLB (0.57) GPR119POLBTRPV1KITGBA1
SCHEMBL3436722 0.81 POLB (0.57) GPR119POLBTRPV1KITGBA1
SCHEMBL31046329 0.81 POLB (0.57) GPR119POLBTRPV1KITGBA1
SCHEMBL3213486 0.80 TRPV1 (0.69) HRH3TRPV1TRPA1GAA
SCHEMBL3882026 0.80 GPR119 (0.54) GPR119POLBHRH3TRPV1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101821257-B 5-HT7 receptor antagonists LILLY CO ELI 2013-05-22 CN disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
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-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
CN-101821257-A 5-HT 7Receptor antagonist LILLY CO ELI 2010-09-01 CN disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 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
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 GPR119 233/4885POLB 4166/4885HRH3 77/4885

“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.