SCHEMBL12548601

SCHEMBL12548601

Cc1ccc(C(C)C)cc1C(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
PTGS1 P23219 1/20 0.48
CACNA1C Q13936 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
LMNA P02545 2/20 0.46
BCHE P06276 4/20 0.44
ACHE P22303 4/20 0.44
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL30619865 0.81 TRPA1 (0.55) TRPA1PTGS1CACNA1CHSP90AA1HSP90AB1
SCHEMBL14453312 0.81 POLB (0.47) TRPA1PTGS1CACNA1CHSP90AA1HSP90AB1
SCHEMBL10289686 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNAALDH1A1MEN1
SCHEMBL14132618 0.79 TRPA1 (0.53) TRPA1PTGS1CACNA1CHSP90AA1HSP90AB1
SCHEMBL3210024 0.79 TRPA1 (0.53) TRPA1PTGS1CACNA1CHSP90AA1HSP90AB1
SCHEMBL1002950 0.78 TRPA1 (0.52) TRPA1PTGS1CACNA1CHSP90AA1HSP90AB1
SCHEMBL10169804 0.77 ALDH1A1 (0.47) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL10169806 0.77 HSP90AA1 (0.43) PTGS1HSP90AA1HSP90AB1TSHRALDH1A1
SCHEMBL10389402 0.77 MEN1 (0.50) TSHRALDH1A1MEN1KMT2A
SCHEMBL28407092 0.76 TRPA1 (0.50) TRPA1PTGS1CACNA1CHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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 (2 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 TRPA1 3452/4885PTGS1 1404/4885CACNA1C 3218/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 TRPA1 3452/4885PTGS1 1404/4885CACNA1C 3218/4885

“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.