Sugi Predict

Sugi Predict / Compounds / SCHEMBL3494085

SCHEMBL3494085

SCHEMBL3494085

COc1cc(CCC(=O)N2CCOCC2)cc(-n2c(C)cc(C(=O)N3CCN(Cc4ccccc4)C[C@H]3Cc3ccccc3)c2-c2ccccc2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ FKBP1A P62942 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HCRTR1 O43613 4/20 0.35
▸ HCRTR2 O43614 4/20 0.35

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
SCHEMBL3496056 0.91 CA1 (0.40) KMT2AMEN1CA1CA2CA4
SCHEMBL3493611 0.89 POLB (0.42) ALDH1A1KDM4EKMT2AMEN1CA1
SCHEMBL4984950 0.89 CA1 (0.41) KMT2AMEN1CA1CA2CA4
SCHEMBL3495101 0.88 CA1 (0.38) KMT2AMEN1CA1CA2CA4
SCHEMBL3496361 0.84 CA1 (0.44) KMT2AMEN1CA1CA2CA4
SCHEMBL3492631 0.84 CTSD (0.40) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL3491870 0.83 SLC29A1 (0.43) ALDH1A1HSD17B10KMT2AMEN1CA1
SCHEMBL3492435 0.83 CA1 (0.44) ALDH1A1KDM4EKMT2AMEN1CA1
SCHEMBL3495096 0.83 CA1 (0.38) KMT2AMEN1CA1CA2CA4
SCHEMBL8235805 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDCASP1CASP7

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-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-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-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
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 (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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 ALDH1A1 1062/4885KDM4E 780/4885HPGD 785/4885

“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.