SCHEMBL3048938

SCHEMBL3048938

CC1(C)CCC(CN(Cc2ccc(-c3ccc4[nH]cnc4c3)cc2)OC(=O)C(F)(F)F)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.32
TEK Q02763 4/20 0.32
EPHB4 P54760 2/20 0.32
KDR P35968 2/20 0.31
QPCT Q16769 1/20 0.31
LTC4S Q16873 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
SCHEMBL3041841 0.87 TEK (0.34) TEKEPHB4KDRQPCT
SCHEMBL3046204 0.82 HTR5A (0.36) TEKEPHB4
SCHEMBL3044505 0.81 HTR5A (0.35) TEKEPHB4
SCHEMBL3045184 0.81 HTT (0.36) TEKEPHB4QPCT
SCHEMBL3046773 0.81 TEK (0.34) TEKEPHB4KDR
SCHEMBL3039722 0.80 TEK (0.34) TEKEPHB4KDRQPCT
SCHEMBL3829848 0.79 HSD11B1 (0.33) QPCT
SCHEMBL3042077 0.79 QPCT (0.34) MELKQPCT
SCHEMBL3042668 0.78 P2RY14 (0.33) TEKEPHB4KDRQPCT
Trifluoroacetic Acid SCHEMBL3048936 0.78 HDAC1 (0.37) TEKEPHB4KDR

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 MELK 1960/4885TEK 788/4885EPHB4 950/4885

“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.