SCHEMBL3494046

SCHEMBL3494046

CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn1Cc1cccc(-n2cccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3492508 0.87 F2RL3 (0.61) F2RL3SMN1; SMN2POLBCYP2C9CYP2C19
SCHEMBL3494459 0.86 AOC2 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL5173704 0.73 KMT2A (0.50) F2RL3POLBKMT2AALDH1A1TDP1
SCHEMBL3494751 0.71 ALDH1A1 (0.52) SMN1; SMN2POLBCYP2C9CYP2C19CYP1A2
SCHEMBL19209464 0.70 MAPK1 (0.60) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL7830321 0.70 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL5172816 0.70 KMT2A (0.48) SMN1; SMN2POLBCYP2C9CYP2C19CYP1A2
SCHEMBL7488323 0.68 F2RL3 (0.78) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL3851363 0.67 PDE4A (0.61) F2RL3SMN1; SMN2POLBPDE4APDE4B
SCHEMBL6257634 0.67 MAPT (0.59) F2RL3SMN1; SMN2POLBCYP2C9CYP2C19

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.