Sugi Predict

Sugi Predict / Compounds / SCHEMBL3495449

SCHEMBL3495449

SCHEMBL3495449

CC(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ncn(C2Cc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.40
▸ MGLL Q99685 1/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA4 P22748 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL13340919 0.88 DRD2 (0.39) AGTR2MGLLCA1CA2CA4
SCHEMBL3496018 0.87 CYP11B2 (0.35) CYP11B2SIGMAR1
SCHEMBL3493081 0.82 CA1 (0.49) MGLLCA1CA2CA4CA9
SCHEMBL13341052 0.82 EGFR (0.39) EGFRUSP30
SCHEMBL3495719 0.82 NR1D1 (0.39) AGTR2CA1CA2CA4CA9
SCHEMBL3494787 0.81 CYP11B2 (0.35) DPP4DPP7CYP11B2ALDH1A1
SCHEMBL3494483 0.81 CA1 (0.42) MGLLCA1CA2CA4CA9
SCHEMBL3495673 0.79 CA1 (0.44) CA1CA2CA4CA9ROCK1
SCHEMBL3495602 0.75 CYP11B2 (0.34) CA1CA2CA4CA9CYP11B2
SCHEMBL4291124 0.73 CYP2D6 (0.37) AGTR2MGLLEGFRMEN1KMT2A

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
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
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 AGTR2 3/4885MGLL 2448/4885CA1 2606/4885

“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.