SCHEMBL3494895

SCHEMBL3494895

C=C(C)COC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 5/20 0.37
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
MCTS1 Q9ULC4 2/20 0.37
BRS3 P32247 1/20 0.34
CDC7 O00311 1/20 0.33
FAAH O00519 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL3492925 0.91 SLC16A3 (0.39) CCKARSLC16A3SLC16A1MCTS1BRS3
SCHEMBL3494697 0.83 CA1 (0.44) SMN1; SMN2ADRA2AADRA2BADRA2CTMEM97
SCHEMBL5134025 0.83 CA1 (0.44) SMN1; SMN2ADRA2AADRA2BADRA2CTMEM97
SCHEMBL3493296 0.83 CA1 (0.39) SMN1; SMN2KIF11CA1CA2CA4
SCHEMBL5133998 0.83 CA1 (0.39) SMN1; SMN2KIF11CA1CA2CA4
SCHEMBL3495525 0.82 SLC16A3 (0.35) SLC16A3SLC16A1MCTS1BRS3CDC7
SCHEMBL3495488 0.82 SLC16A3 (0.35) SLC16A3SLC16A1MCTS1BRS3CDC7
SCHEMBL3495801 0.82 JMJD6 (0.41) SMN1; SMN2KDM4EALDH1A1CA1CA2
SCHEMBL3495798 0.81 CA1 (0.36) SLC16A3SLC16A1MCTS1BRS3SMN1; SMN2
SCHEMBL13341007 0.80 CA1 (0.42) SMN1; SMN2KDM4EALDH1A1CA1CA2

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 2 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

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 CCKAR 150/4885SLC16A3 3861/4885SLC16A1 3640/4885

“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.