SCHEMBL2236554

SCHEMBL2236554

CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(N)cn2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.54
PDE10A Q9Y233 2/20 0.51
RET P07949 2/20 0.47
MAP4K4 O95819 1/20 0.45
HSD11B1 P28845 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
CHRM4 P08173 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
PIK3CD O00329 1/20 0.40
SYK P43405 1/20 0.40
PDK2 Q15119 1/20 0.39
HDAC1 Q13547 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SPR P35270 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
SCHEMBL12265185 1.00 AAK1 (0.54) AAK1PDE10ARETMAP4K4HSD11B1
SCHEMBL529747 1.00 AAK1 (0.54) AAK1PDE10ARETMAP4K4HSD11B1
SCHEMBL15197532 0.94 RET (0.53) AAK1PDE10ARETMAP4K4HSD11B1
SCHEMBL595584 0.93 AAK1 (0.47) AAK1PDE10ARETMAP4K4HSD11B1
SCHEMBL14196279 0.87 AAK1 (0.54) AAK1PDE10ARETMAP4K4HSD11B1
SCHEMBL2302835 0.85 AAK1 (0.48) AAK1PDE10ARETMAP4K4HSD11B1
SCHEMBL2173915 0.85 AAK1 (0.48) AAK1PDE10ARETMAP4K4HSD11B1
SCHEMBL528447 0.84 MAP4K4 (0.50) AAK1MAP4K4CHRM4
SCHEMBL2789586 0.84 MAP4K4 (0.61) MAP4K4CHRM4
SCHEMBL595852 0.84 MAP4K4 (0.61) MAP4K4CHRM4

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
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 AAK1 744/4885PDE10A 509/4885RET 94/4885

“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.