Sugi Predict

Sugi Predict / Compounds / SCHEMBL14808705

SCHEMBL14808705

SCHEMBL14808705

Cc1ccccc1C(=O)C1CN2CCC1CC2

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.43

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
SCHEMBL14808505 0.88 ALDH1A1 (0.56) ALDH1A1GAA
SCHEMBL15283593 0.82 ALDH1A1 (0.68) ALDH1A1GAA
SCHEMBL14821934 0.82 ALDH1A1 (0.63) ALDH1A1GAA
SCHEMBL11759682 0.82 GAA (0.54) ALDH1A1GAA
SCHEMBL14808496 0.81 GAA (0.53) ALDH1A1GAA
SCHEMBL14808666 0.80 ALDH1A1 (0.53) ALDH1A1GAA
SCHEMBL14821867 0.80 ALDH1A1 (0.57) ALDH1A1GAA
SCHEMBL14821882 0.80 ALDH1A1 (0.57) ALDH1A1GAA
SCHEMBL14808557 0.80 ALDH1A1 (0.53) ALDH1A1GAA
SCHEMBL14808514 0.78 ALDH1A1 (0.54) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758395-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE Vertex Pharmaceuticals Inc. (US) 2014-07-30 — — EP disclosed
EP-2751101-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE Vertex Pharmaceuticals Incorporated (US) 2014-07-09 — — EP disclosed
US-20130281445-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed
US-20130281445-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed
US-20130281445-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed
US-20130261114-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED 2013-10-03 — — US disclosed
US-20130261114-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED 2013-10-03 — — US disclosed
US-20130261114-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED 2013-10-03 — — US disclosed
WO-2013043960-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-28 — — WO disclosed
WO-2013043961-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-28 — — 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 (2 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-20130261114-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE CHKA, CHKB, PHKG1 ALDH1A1 2231/4885GAA 380/4885HTT 2423/4885
US-20130281445-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE CHKA, CHKB, PHKG1 ALDH1A1 2231/4885GAA 380/4885HTT 2423/4885

“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.