SCHEMBL2170912

SCHEMBL2170912

Cc1cc(N)cnc1N1CCC(N(C)C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.48
AAK1 Q2M2I8 1/20 0.45
PIK3CD O00329 1/20 0.44
KDM4D Q6B0I6 1/20 0.40
HSD11B1 P28845 1/20 0.40
SPR P35270 5/20 0.40
JAK3 P52333 2/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
OPRK1 P41145 1/20 0.37
ACACB O00763 1/20 0.36
RET P07949 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL2247096 1.00 PDE10A (0.48) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL1750885 0.85 JAK3 (0.40) JAK3JAK2JAK1OPRK1ACACB
SCHEMBL2302835 0.84 AAK1 (0.48) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL2173915 0.84 AAK1 (0.48) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL12265185 0.81 AAK1 (0.54) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL529747 0.81 AAK1 (0.54) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL2236554 0.81 AAK1 (0.54) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL30375613 0.79 PIK3CD (0.46) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL31082432 0.77 PDE10A (0.52) PDE10AAAK1PIK3CDKDM4DHSD11B1
SCHEMBL2171923 0.77 PDE10A (0.46) PDE10AAAK1PIK3CDKDM4DHSD11B1

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 PDE10A 509/4885AAK1 744/4885PIK3CD 4417/4885

“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.