SCHEMBL3039722

SCHEMBL3039722

O=C(ON(Cc1ccc(-c2ccc3[nH]cnc3c2)cc1)C1CC1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.34
EPHB4 P54760 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
QPCT Q16769 6/20 0.33
KDR P35968 2/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
P2RY14 Q15391 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 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
SCHEMBL3047524 0.95 TEK (0.34) TEKEPHB4QPCTKDROXTR
SCHEMBL3049056 0.95 TEK (0.34) TEKEPHB4QPCTKDROXTR
SCHEMBL3041841 0.92 TEK (0.34) TEKEPHB4GPR119QPCTKDR
SCHEMBL3046773 0.87 TEK (0.34) TEKEPHB4KDR
SCHEMBL1879961 0.84 CACNA1B (0.34) QPCTP2RY14
SCHEMBL3046204 0.81 HTR5A (0.36) TEKEPHB4DRD4DRD3ROCK2
SCHEMBL1878706 0.81 CACNA1B (0.34) QPCTP2RY14
SCHEMBL3044505 0.80 HTR5A (0.35) TEKEPHB4DRD4DRD3ROCK2
SCHEMBL3048938 0.80 MELK (0.32) TEKEPHB4QPCTKDR
SCHEMBL3039942 0.80 QPCT (0.32) QPCTOXTRAVPR1AGRIN2B

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 TEK 788/4885EPHB4 950/4885GPR119 86/4885

“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.