SCHEMBL3492508

SCHEMBL3492508

CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 1/20 0.58
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 0.56
CYP19A1 P11511 4/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL3494046 0.87 F2RL3 (0.49) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL3494751 0.83 ALDH1A1 (0.52) SMN1; SMN2POLBPDE4APDE4BPDE4C
SCHEMBL19209464 0.81 MAPK1 (0.60) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL3851363 0.77 PDE4A (0.61) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL22125747 0.77 MAPK1 (0.62) F2RL3SMN1; SMN2POLBCYP19A1MEN1
SCHEMBL19436453 0.77 MAPK1 (0.62) F2RL3SMN1; SMN2POLBCYP19A1MEN1
SCHEMBL6257634 0.77 MAPT (0.59) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL363569 0.76 F2RL3 (1.00) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL29403731 0.76 F2RL3 (1.00) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL8176088 0.76 PTGS2 (0.56) F2RL3SMN1; SMN2CYP19A1TDP1

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 6 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
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 F2RL3 1159/4885SMN1; SMN2 4730/4885POLB 1984/4885

“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.