SCHEMBL8613670

SCHEMBL8613670

CC(=O)N1C(C)(C)CCCC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR1 P03372 1/20 0.39
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR3 O14843 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL10574423 1.00 TSHR (0.43) TSHRNFKB1CYP2C19ESR1CYP3A4
SCHEMBL14369404 0.89 ESR1 (0.41) TSHRNFKB1CYP2C19ESR1CYP3A4
Acetic Acid SCHEMBL11312358 0.84 TSHR (0.38) TSHRNFKB1CYP2C19ESR1CYP3A4
SCHEMBL28088669 0.81 TSHR (0.45) TSHRNFKB1CYP2C19FFAR3
SCHEMBL16409147 0.80 TSHR (0.41) TSHRNFKB1CYP2C19
SCHEMBL9067554 0.79 TSHR (0.48) TSHRNFKB1CYP2C19FFAR3
SCHEMBL28448964 0.79 TSHR (0.43) TSHRNFKB1CYP2C19FFAR3
SCHEMBL2278363 0.77 TSHR (0.42) TSHRNFKB1CYP2C19SMN1; SMN2FFAR3
SCHEMBL8527302 0.77 TSHR (0.42) TSHRNFKB1CYP2C19FFAR3
SCHEMBL771854 0.77 TSHR (0.42) TSHRNFKB1CYP2C19FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4876299-A FOR POLYMERIC LACQUERS SANDOZ LTD. (CH) 1989-10-24 US claimed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070231671-A1 Catalyst Material For Use In Fuel Cell, Catalyst Membrane, Membrane Electrode Assembly and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-5728836-A Process for preparing 4-acylamino-2,2,6,6-tetramethylpiperidines HUELS AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
US-4876299-A FOR POLYMERIC LACQUERS SANDOZ LTD. (CH) 1989-10-24 US disclosed
US-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 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-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C TSHR 4824/4885NFKB1 1035/4885CYP2C19 551/4885

“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.