SCHEMBL16790650

SCHEMBL16790650

CC(=O)NC1(C2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
PDE7B Q9NP56 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL23051874 0.86 HTT (0.43) HTTALDH1A1
SCHEMBL19069845 0.81 HTT (0.43) HTTALDH1A1
SCHEMBL7046975 0.76 HTT (0.56) HTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30853118 0.76 HTT (0.37) HTTKDM4E
SCHEMBL11801116 0.74 HTT (0.58) HTTALDH1A1KDM4E
SCHEMBL7601751 0.71 PIK3CD (0.35) PIK3CD
SCHEMBL23083915 0.70 HTT (0.36) HTTALDH1A1
SCHEMBL15116830 0.69 PIK3CD (0.34) ALDH1A1PIK3CD
SCHEMBL6509736 0.69 HTT (0.45) HTTKDM4E
SCHEMBL8235466 0.68

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-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
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

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 HTT 2477/4885PDE7B 4002/4885ALDH1A1 4202/4885

“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.