SCHEMBL16761652

SCHEMBL16761652

CCOC(=O)C(=O)CCC1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
ASAH1 Q13510 1/20 0.36
FAAH O00519 2/20 0.36
METAP2 P50579 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30877175 0.85 FAAH (0.42) FAAHMETAP2MAPTALDH1A1GAA
SCHEMBL19276848 0.84 ALDH1A1 (0.42) NAAAASAH1MAPTALDH1A1GAA
SCHEMBL7362812 0.82 METAP2 (0.42) FAAHMETAP2MAPTALDH1A1SMN1; SMN2
SCHEMBL7280876 0.80 HSD11B1 (0.44) FAAHMETAP2MAPTALDH1A1SMN1; SMN2
SCHEMBL15566435 0.75 GAA (0.37) MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL19806324 0.73 TSHR (0.41) NAAAASAH1MAPTALDH1A1SMN1; SMN2
SCHEMBL2778453 0.73 TRPA1 (0.41) NAAAASAH1ALDH1A1GAAL3MBTL1
SCHEMBL17933288 0.72 PSEN1 (0.39) NAAAASAH1MAPT
SCHEMBL27939502 0.72 JAK2 (0.31) NAAAASAH1MAPTALDH1A1JAK2
SCHEMBL12201811 0.71 CYP3A4 (0.35) NAAAASAH1METAP2MAPTALDH1A1

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
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9540366-B2 Ring-fused heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-01-10 US disclosed
US-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-08 US disclosed
EP-2881394-A1 CONDENSED RING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-06-10 EP disclosed
CN-104619707-A Condensed ring heterocyclic compound KYOWA HAKKO KIRIN CO LTD 2015-05-13 CN disclosed
CN-103298468-A Ring-fused heterocyclic derivative KYOWA HAKKO KIRIN CO LTD 2013-09-11 CN 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-20150284384-A1 RING-FUSED HETEROCYCLIC COMPOUND TRPV1, TRPV2, TRPV3 NAAA 1878/4885ASAH1 3017/4885FAAH 1645/4885

“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.