SCHEMBL3580466

SCHEMBL3580466

CCC(C)C(CO)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 3/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
FDPS P14324 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3580467 1.00 PGR (0.36) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13417362 0.81 TSHR (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13417359 0.81 TSHR (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL23950126 0.80 PGR (0.31) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL28695228 0.80 MAPT (0.32) TSHR
Hydrochloric Acid SCHEMBL28675643 0.78 MAPT (0.31)
SCHEMBL3583584 0.76 SPHK2 (0.37) TSHRTDP1
SCHEMBL3583586 0.76 SPHK2 (0.37) TSHRTDP1
SCHEMBL17888811 0.75 TDP1 (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13612892 0.69 PGR (0.31) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056575-A1 Anesthetic Compounds SIGNATURE THERAPEUTICS, INC. 2010-03-04 US disclosed
EP-2069299-A2 ANESTHETIC COMPOUNDS Pharmacofore, Inc. (US) 2009-06-17 EP disclosed
WO-2008011539-A2 ANESTHETIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-01-24 WO 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-20100056575-A1 Anesthetic Compounds OPRL1, OPRM1, CYP3A5 PGR 3977/4885ADRA2A 312/4885ADRA2B 337/4885

“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.