SCHEMBL3495488

SCHEMBL3495488

O=C(c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1C[C@H](O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
BRS3 P32247 1/20 0.35
CDC7 O00311 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
ADRA2C P18825 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATR Q13535 1/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 4/20 0.34
PIK3CG P48736 4/20 0.34
KIF11 P52732 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 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
SCHEMBL3495525 1.00 SLC16A3 (0.35) SLC16A3SLC16A1MCTS1BRS3CDC7
SCHEMBL3492925 0.85 SLC16A3 (0.39) SLC16A3SLC16A1MCTS1BRS3SIGMAR1
SCHEMBL5134025 0.85 CA1 (0.44) SIGMAR1ADRA2AADRA2BTMEM97ADRA2C
SCHEMBL3494697 0.85 CA1 (0.44) SIGMAR1ADRA2AADRA2BTMEM97ADRA2C
SCHEMBL5133998 0.83 CA1 (0.39) SMN1; SMN2KIF11CA1CA2CA4
SCHEMBL3493296 0.83 CA1 (0.39) SMN1; SMN2KIF11CA1CA2CA4
SCHEMBL3494895 0.82 CCKAR (0.37) SLC16A3SLC16A1MCTS1BRS3CDC7
SCHEMBL3495798 0.81 CA1 (0.36) SLC16A3SLC16A1MCTS1BRS3SMN1; SMN2
SCHEMBL3494623 0.81 CA1 (0.37) BRS3CDC7SIGMAR1ADRA2AADRA2B
SCHEMBL3495801 0.81 JMJD6 (0.41) SMN1; SMN2CA1CA2CA4CA9

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 3 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

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 SLC16A3 3861/4885SLC16A1 3640/4885MCTS1 2813/4885

“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.