SCHEMBL3492964

SCHEMBL3492964

CCOC(=O)c1cnn(-c2ccccc2OC)c1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
HPGD P15428 5/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 2/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 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
SCHEMBL3491200 0.85 MAPK14 (0.54) ALDH1A1KDM4EMAPK14MAPT
SCHEMBL15750820 0.84 ALDH1A1 (0.84) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL6313155 0.83 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL17844090 0.81 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2HSD17B10NPC1
SCHEMBL15750737 0.78 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL3493407 0.78 MAPK14 (0.58) ALDH1A1MAPK14HTTGAA
SCHEMBL4825828 0.76 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL462999 0.76 MAPK14 (0.50) ALDH1A1HPGDKDM4EHSD17B10MAPK14
SCHEMBL15750478 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL4828987 0.75 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10

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
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 ALDH1A1 1062/4885HPGD 785/4885KDM4E 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.