SCHEMBL334856

SCHEMBL334856

CCN(CCN)C(C)c1cccc(N(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.36
OPRK1 P41145 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ACHE P22303 3/20 0.35
BCHE P06276 2/20 0.35
FAAH O00519 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.32
S1PR1 P21453 1/20 0.31
MARK4 Q96L34 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
SCHEMBL335068 0.82 AOC3 (0.40) OPRK1TSHRACHEBCHEFAAH
SCHEMBL334403 0.81 AOC3 (0.41) OPRK1SLC6A2SLC6A4
SCHEMBL335051 0.81 AOC3 (0.41) OPRK1SLC6A2SLC6A4
SCHEMBL1132949 0.81 OPRK1 (0.53) OPRK1TSHRALDH1A1ACHECYP3A4
Hydrochloric Acid SCHEMBL30606596 0.79 AOC3 (0.40) OPRK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL26598980 0.79 AOC3 (0.40) OPRK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL26598981 0.79 AOC3 (0.40) OPRK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31500336 0.79 AOC3 (0.40) OPRK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL26598986 0.79 AOC3 (0.40) OPRK1SLC6A2SLC6A4
SCHEMBL335260 0.79 HRH1 (0.45) TSHRSLC6A4CYP3A4CYP2D6SLC6A3

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 GBA1 530/4885OPRK1 4818/4885TSHR 1567/4885

“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.