SCHEMBL3495628

SCHEMBL3495628

CC(C)C[C@@H]1CNCCN1C(=O)c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.38
LRRK2 Q5S007 1/20 0.36
CYP3A4 P08684 2/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
ATR Q13535 1/20 0.35
REN P00797 2/20 0.35
PIM1 P11309 1/20 0.35
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
KMO O15229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
LMNA P02545 1/20 0.33
FAAH O00519 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSL P07711 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
SCHEMBL5140406 1.00 CPT1A (0.38) CPT1ALRRK2CYP3A4KCNQ3KCNQ2
SCHEMBL3492277 0.89 CA1 (0.43) CPT1ACYP3A4ATRRENHCRTR1
Hydrochloric Acid SCHEMBL3493933 0.88 CA1 (0.42) CPT1ACYP3A4ATRRENHCRTR1
SCHEMBL3494809 0.87 HCRTR1 (0.43) CPT1ACYP3A4RENHCRTR1HCRTR2
SCHEMBL3494487 0.85 CA1 (0.42) CPT1ACYP3A4RENPIM1KMO
SCHEMBL3493187 0.85 CPT1A (0.36) CPT1AATRRENSLC16A3SLC16A1
SCHEMBL3492321 0.82 PTGS2 (0.42) CPT1ARENSLC16A3SLC16A1MCTS1
SCHEMBL8230069 0.80 LRRK2 (0.34) CPT1ALRRK2CYP3A4KCNQ3KCNQ2
SCHEMBL3493643 0.78 KIF11 (0.40) ATRPIM1KMO
SCHEMBL8229740 0.76 KMO (0.47) LRRK2CYP1A2CYP2C9ATRPIM1

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 4 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

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 CPT1A 1931/4885LRRK2 1584/4885CYP3A4 1555/4885

“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.