SCHEMBL3045184

SCHEMBL3045184

CC(C)CN(Cc1ccc(-c2ccc3[nH]cnc3c2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
QPCT Q16769 7/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NAMPT P43490 1/20 0.32
RORC P51449 3/20 0.32
SYK P43405 1/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
TEK Q02763 2/20 0.30
EPHB4 P54760 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
SCHEMBL3048938 0.81 MELK (0.32) QPCTTEKEPHB4
SCHEMBL3046204 0.81 HTR5A (0.36) TEKEPHB4
SCHEMBL3051515 0.80 HTT (0.37) HTTQPCTNAMPTAGTR1AGTR2
SCHEMBL3051307 0.80 QPCTL (0.39) NAMPTSYKTEK
SCHEMBL3039722 0.79 TEK (0.34) QPCTTEKEPHB4
SCHEMBL3044505 0.79 HTR5A (0.35) TEKEPHB4
SCHEMBL3047524 0.77 TEK (0.34) QPCTTEKEPHB4
SCHEMBL3049056 0.77 TEK (0.34) QPCTTEKEPHB4
SCHEMBL3041841 0.76 TEK (0.34) QPCTTEKEPHB4
Trifluoroacetic Acid SCHEMBL3047191 0.75 HDAC1 (0.45) HTTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HTT 1472/4885QPCT 1796/4885CTSL 2461/4885

“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.