Sugi Predict

Sugi Predict / Compounds / SCHEMBL19124267

SCHEMBL19124267

SCHEMBL19124267

CN(C)c1cc(CN(C)[C@@H]2CCCC[C@H]2N(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ ALDH1A1 P00352 5/20 0.36
▸ TSHR P16473 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2C19 P33261 5/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSPA5 P11021 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ SLC18A3 Q16572 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ NTRK1 P04629 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
SCHEMBL16440896 0.86 CYP2D6 (0.47) CYP2D6CYP1A2ALDH1A1TSHRGAA
SCHEMBL19130458 0.86 CYP2D6 (0.47) CYP2D6CYP1A2ALDH1A1TSHRGAA
SCHEMBL19124504 0.86 CYP2D6 (0.47) CYP2D6CYP1A2ALDH1A1TSHRGAA
SCHEMBL19124754 0.85 CYP2D6 (0.41) CYP2D6CYP1A2ALDH1A1TSHRGAA
SCHEMBL19130227 0.81 HTT (0.51) CYP2D6CYP1A2ALDH1A1TSHRGAA
SCHEMBL19124764 0.80 CA2 (0.41) CYP2D6CYP1A2TSHRCYP2C19NPSR1
SCHEMBL19149629 0.79 EGFR (0.32) CYP2D6TSHRSLC18A3
SCHEMBL19130225 0.73 CYP2D6 (0.37) CYP2D6CYP1A2ALDH1A1TSHRGAA
SCHEMBL19130454 0.73 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1TSHRGAA
SCHEMBL19124503 0.71 CHEK1 (0.40) CYP2D6CYP1A2ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines UNIVERSITY COLLEGE DUBLIN (IE) 2019-02-05 — — US disclosed
US-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines UNIVERSITY COLLEGE DUBLIN (IE) 2019-02-05 — — US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 — — US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 — — US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 — — 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 (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-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines ADH1C, ADH1A, ADH5 CYP2D6 1319/4885CYP1A2 247/4885ALDH1A1 6/4885
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES ADH1C, ADH1A, ADH5 CYP2D6 1401/4885CYP1A2 245/4885ALDH1A1 7/4885

“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.