SCHEMBL3495233

SCHEMBL3495233

O=C(O)c1nnn(-c2ccccc2OCc2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
BRD4 O60885 1/20 0.46
POLB P06746 2/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PTGER1 P34995 3/20 0.42
MCL1 Q07820 1/20 0.42
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP19A1 P11511 1/20 0.40
SRD5A2 P31213 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3496099 0.81 KDM4E (0.58) ALDH1A1KDM4EGAAPOLBMCL1
SCHEMBL22636196 0.80 MAOB (0.43) ALDH1A1GAAPOLBMCL1
SCHEMBL3494269 0.79 POLB (0.60) ALDH1A1KDM4EGAAPOLBSRD5A2
SCHEMBL4988386 0.77 AVPR2 (0.41) BRD4AVPR2AVPR1ACA1CA2
SCHEMBL3492197 0.75 AVPR2 (0.38) ALDH1A1GAABRD4RXRARXRB
SCHEMBL3753122 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EGAAPOLBCYP1A2
SCHEMBL1514806 0.74 CHRM1 (0.46) ALDH1A1KDM4EGAAPOLBCA1
SCHEMBL22636440 0.73 HDAC1 (0.44) KDM4EPOLBMAPK1
SCHEMBL4487634 0.72 KDM4E (0.72) ALDH1A1KDM4EGAAPOLBCYP1A2
SCHEMBL3493444 0.72 ALKBH1 (0.47) KDM4EPTGER1MCL1

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
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
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 1062/4885KDM4E 780/4885GAA 4262/4885

“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.