Sugi Predict

Sugi Predict / Compounds / SCHEMBL14808331

SCHEMBL14808331

SCHEMBL14808331

O=C(c1ccccc1)C1CN2CCC1CC2

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.69
▸ GAA P10253 1/20 0.59
▸ CYP2D6 P10635 1/20 0.50
▸ CHRNA7 P36544 4/20 0.48
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL14808621 0.91 ALDH1A1 (0.67) ALDH1A1GAA
Hydrochloric Acid SCHEMBL8864128 0.89 ALDH1A1 (0.69) ALDH1A1GAA
Hydrochloric Acid SCHEMBL8864125 0.88 ALDH1A1 (0.63) ALDH1A1GAA
SCHEMBL14808624 0.87 ALDH1A1 (0.55) ALDH1A1GAACYP2D6CHRNA7
SCHEMBL14808578 0.83 ALDH1A1 (0.97) ALDH1A1GAACYP2D6CHRNA7LMNA
SCHEMBL14808478 0.83 ALDH1A1 (0.70) ALDH1A1GAALMNA
SCHEMBL14807964 0.83 ALDH1A1 (0.70) ALDH1A1GAACHRNA7LMNA
SCHEMBL14808313 0.82 TSHR (0.61) ALDH1A1GAA
SCHEMBL14808748 0.82 ALDH1A1 (0.56) ALDH1A1GAACHRM2CHRM1CHRM3
SCHEMBL14808828 0.82 ALDH1A1 (0.59) ALDH1A1GAACHRNA7LMNA

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-2013043961-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-28 — — WO disclosed
WO-2013043960-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 380/4885CYP2D6 3315/4885
US-20130281445-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE CHKA, CHKB, PHKG1 ALDH1A1 2231/4885GAA 380/4885CYP2D6 3315/4885

“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.