SCHEMBL2298182

SCHEMBL2298182

CN(C(=O)O)[C@@H]1CN(c2ccc(N)cn2)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
AOC3 Q16853 1/20 0.33
ACACB O00763 3/20 0.32
HDAC1 Q13547 2/20 0.32
GRM5 P41594 1/20 0.31
RET P07949 1/20 0.31
HSD11B1 P28845 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL2298177 1.00 PDK2 (0.34) PDK2AOC3ACACBHDAC1GRM5
SCHEMBL12386682 0.89 RET (0.40) PDK2AOC3HDAC1RET
SCHEMBL2302817 0.84 MAPT (0.43)
SCHEMBL2302814 0.84 MAPT (0.43)
SCHEMBL2302809 0.84 MAPT (0.43)
SCHEMBL17784994 0.76 GRIN2D (0.39) ACACBHDAC1GRM5GRIN2DGRIN3B
SCHEMBL12386679 0.74 MAPT (0.41) RET
SCHEMBL528447 0.70 MAP4K4 (0.50)
SCHEMBL1750255 0.70 MAP4K4 (0.50)
SCHEMBL2144127 0.69 HRH3 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 PDK2 910/4885AOC3 1149/4885ACACB 4830/4885

“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.