SCHEMBL14839957

SCHEMBL14839957

Cn1ncc2c(C3COCCN3OC(=O)C(F)(F)F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.35
▸ RBP4 P02753 1/20 0.34
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ PRKDC P78527 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
SCHEMBL14839981 0.78 TRPV1 (0.35) TRPV1
SCHEMBL14829350 0.73 BACE1 (0.39) —
SCHEMBL14830109 0.72 ALDH1A1 (0.35) —
Trifluoroacetic Acid SCHEMBL14839956 0.72 SSTR4 (0.37) TRPV1RBP4CREBBPSSTR1SSTR2
SCHEMBL14839832 0.71 CYP2C19 (0.37) —
SCHEMBL14829651 0.68 ALDH1A1 (0.41) —
SCHEMBL14849720 0.66 TRPV1 (0.38) TRPV1PIM1ABL1
SCHEMBL14839527 0.65 BCDIN3D (0.35) TRPV1CREBBPSSTR1SSTR2SSTR4
SCHEMBL4687035 0.65 CHRNB2 (0.34) TRPV1RBP4SCN9ASSTR4
SCHEMBL25324944 0.62 TRPV1 (0.37) TRPV1RBP4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765751-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 — — US disclosed
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — 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-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, PLK1 TRPV1 2263/4885RBP4 4784/4885RAF1 274/4885

“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.

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