SCHEMBL3491402

SCHEMBL3491402

O=C(O)c1[nH]nc(C2Cc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 3/20 0.38
ALPL P05186 1/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
HCAR2 Q8TDS4 2/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIN1 Q13526 1/20 0.36
GPR35 Q9HC97 1/20 0.35
RPA1 P27694 1/20 0.35

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
SCHEMBL3491623 0.76 RAB9A (0.50) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL27518675 0.71 AKT2 (0.59) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL6849454 0.68 L3MBTL1 (0.44) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL22816435 0.68 HCAR2 (0.39) HCAR2
SCHEMBL4985101 0.67 KDM4E (0.48) NPY5RALDH1A1KDM4EHSD17B10ALPL
SCHEMBL4480327 0.64 HCAR2 (0.42) ALDH1A1KDM4EHSD17B10ALPLHCAR2
SCHEMBL4527215 0.64 HCAR2 (0.42) ALDH1A1KDM4EHSD17B10ALPLHCAR2
SCHEMBL4489553 0.64 HCAR2 (0.42) ALDH1A1KDM4EHSD17B10ALPLHCAR2
SCHEMBL20837070 0.64 MAPK1 (0.43) ALDH1A1KDM4EHPGDLMNAHSD17B10
Trifluoroacetic Acid SCHEMBL22608563 0.63 HCAR2 (0.37) ALDH1A1KDM4EHPGDLMNAHCAR2

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 NPY5R 144/4885ALDH1A1 1062/4885KDM4E 780/4885

“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.