SCHEMBL3047422

SCHEMBL3047422

CN(CCC(O)C(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL6078840 0.82 CETP (0.33)
SCHEMBL6078263 0.82 CETP (0.33)
SCHEMBL5316769 0.78 TSHR (0.39) TSHRDPP4
SCHEMBL1455203 0.75 TSHR (0.43) TSHR
SCHEMBL31709879 0.75 DPP4 (0.31) DPP4
SCHEMBL27794043 0.72 THRB (0.39) NOS3NOS1NOS2
SCHEMBL6079513 0.72 GPR84 (0.31) NOS3NOS1NOS2
Hydroxyamine SCHEMBL1454975 0.71 TSHR (0.40) TSHR
SCHEMBL3763074 0.71 NPC1 (0.36) TSHRKDM4EATMNOS3NOS1
SCHEMBL6079293 0.71 CHRM1 (0.38) TSHR

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-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB TSHR 218/4885DPP4 4182/4885KDM4E 3034/4885

“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.