Sugi Predict

Sugi Predict / Compounds / SCHEMBL3496353

SCHEMBL3496353

SCHEMBL3496353

O=C(O)N1CCN(Cc2ccccc2)C[C@H]1CO

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.54
▸ AGTR2 P50052 1/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA4 P22748 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ DPP4 P27487 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL28429512 1.00 SIGMAR1 (0.54) SIGMAR1AGTR2CA1CA2CA4
SCHEMBL28429511 1.00 SIGMAR1 (0.54) SIGMAR1AGTR2CA1CA2CA4
SCHEMBL14714339 0.89 CA1 (0.65) SIGMAR1CA1CA2CA4CA9
SCHEMBL3491620 0.89 CA1 (0.65) SIGMAR1CA1CA2CA4CA9
SCHEMBL15279940 0.89 CA1 (0.65) SIGMAR1CA1CA2CA4CA9
SCHEMBL3494525 0.88 CA1 (0.63) SIGMAR1AGTR2CA1CA2CA4
SCHEMBL3494491 0.88 LTA4H (0.47) SIGMAR1AGTR2CA1CA2CA4
SCHEMBL20528042 0.87 SIGMAR1 (0.51) SIGMAR1AGTR2CA1CA2CA4
SCHEMBL5081090 0.87 SIGMAR1 (0.51) SIGMAR1AGTR2CA1CA2CA4
SCHEMBL22122721 0.87 CA1 (0.53) SIGMAR1AGTR2CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 — — CN disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 — — EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 — — 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 (3 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 SIGMAR1 1463/4885AGTR2 3/4885CA1 2606/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885AGTR2 5/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885AGTR2 5/4885CA1 2275/4885

“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.