SCHEMBL2302835

SCHEMBL2302835

CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ncc(N)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.48
PDE10A Q9Y233 1/20 0.47
HSD11B1 P28845 1/20 0.43
KDM4D Q6B0I6 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
SPR P35270 5/20 0.39
USP30 Q70CQ3 3/20 0.39
MAP4K4 O95819 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
RET P07949 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL2173915 1.00 AAK1 (0.48) AAK1PDE10AHSD11B1KDM4DGPR119
SCHEMBL29134759 0.87 AAK1 (0.49) AAK1PDE10AHSD11B1KDM4DGPR119
SCHEMBL26712578 0.87 AAK1 (0.49) AAK1PDE10AHSD11B1KDM4DGPR119
SCHEMBL12265185 0.85 AAK1 (0.54) AAK1PDE10AHSD11B1KDM4DJAK2
SCHEMBL2236554 0.85 AAK1 (0.54) AAK1PDE10AHSD11B1KDM4DJAK2
SCHEMBL24033500 0.85 AAK1 (0.48) AAK1PDE10AHSD11B1KDM4DGPR119
SCHEMBL29134305 0.85 AAK1 (0.48) AAK1PDE10AHSD11B1KDM4DGPR119
SCHEMBL529747 0.85 AAK1 (0.54) AAK1PDE10AHSD11B1KDM4DJAK2
Lithium Ion SCHEMBL30181681 0.85 AAK1 (0.46) AAK1PDE10AHSD11B1KDM4DGPR119
SCHEMBL2247096 0.84 PDE10A (0.48) AAK1PDE10AHSD11B1KDM4DJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 AAK1 744/4885PDE10A 509/4885HSD11B1 87/4885

“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.