SCHEMBL17027160

SCHEMBL17027160

FC(F)(F)c1cc(I)c2c(c1)OCCN2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.35
▸ FABP6 P51161 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADRB1 P08588 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
SCHEMBL15828692 0.84 MAPT (0.36) ALDH1A1GAAMAPTHSD17B10
SCHEMBL19751518 0.78 ALDH1A1 (0.46) FABP6ALDH1A1GAAMAPTHSD17B10
SCHEMBL31076265 0.75 MAPT (0.35) FABP6ALDH1A1GAAMAPTHSD17B10
SCHEMBL19737654 0.71 ALDH1A1 (0.36) ALDH1A1GAAMAPTHSD17B10
SCHEMBL17027034 0.70 AR (0.46) ARFABP6ALDH1A1GAAMAPT
SCHEMBL30015862 0.70 AR (0.46) ARFABP6ALDH1A1GAAMAPT
SCHEMBL17026804 0.69 — —
SCHEMBL17026871 0.68 KMT2A (0.33) AR
SCHEMBL15828687 0.68 MAPT (0.36) ARFABP6ALDH1A1GAAMAPT
SCHEMBL20756201 0.67 ADRA2A (0.40) FABP6ALDH1A1GAAMAPTHSD17B10

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — WO 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 AR 148/4885FABP6 2189/4885ALDH1A1 600/4885

“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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