SCHEMBL15367337

SCHEMBL15367337

CN1CCC(NC(=O)c2c[c]cnc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ SMYD3 Q9H7B4 2/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL9899988 0.87 SMYD3 (0.48) SMYD3
SCHEMBL19133764 0.81 HDAC4 (0.47) HDAC4HDAC6SMYD3SLC6A5AURKA
SCHEMBL2222201 0.79 CARM1 (0.51) HDAC4HDAC6SLC6A5CARM1PRMT6
SCHEMBL30365687 0.77 ALDH1A1 (0.62) WNT1DYRK1A
SCHEMBL30419263 0.77 SMYD3 (0.69) SMYD3
SCHEMBL3955552 0.77 ALDH1A1 (0.62) WNT1DYRK1A
SCHEMBL23388221 0.76 SLC6A5 (0.48) HDAC4HDAC6SMYD3SLC6A5AURKA
SCHEMBL15366968 0.76 SMYD3 (0.67) SMYD3
SCHEMBL1570033 0.74 DYRK1A (0.49) AURKAAURKBRIPK2WNT1DYRK1A
SCHEMBL16415945 0.74 ALDH1A1 (0.53) SMYD3RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100095-B2 Resistant mutant 90 kDa heat shock protein TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-10-16 — — US disclosed
US-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 — — US disclosed
EP-3064582-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN Taiho Pharmaceutical Co., Ltd. (JP) 2016-09-07 — — EP disclosed
EP-2662357-B1 BICYCLIC COMPOUNDS OR SALTS THEREOF FOR USE IN THE TREATMENT OF CANCER TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-03 — — EP disclosed
US-8912181-B2 Bicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-12-16 — — US disclosed
EP-2662357-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2013-11-13 — — EP disclosed
US-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-11-07 — — 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 (3 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-20160311871-A1 RESISTANT MUTANT 90 kDA HEAT SHOCK PROTEIN HSP90AB1, HSP90AA1, HSP90AB2P HDAC4 2243/4885HDAC6 694/4885SMYD3 2596/4885
US-10100095-B2 Resistant mutant 90 kDa heat shock protein HSP90AB1, HSP90AA1, HSP90AB2P HDAC4 2243/4885HDAC6 694/4885SMYD3 2596/4885
US-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P HDAC4 174/4885HDAC6 49/4885SMYD3 1995/4885

“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.

Send feedback