SCHEMBL3496121

SCHEMBL3496121

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 8/20 0.48
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGDS O60760 1/20 0.44
CYP1A2 P05177 1/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
AURKA O14965 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL3491402 0.82 NPY5R (0.41) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL3493236 0.81 HPGDS (0.60) MAPTSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL11351745 0.79 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6852927 0.77 ALDH1A1 (0.55) MAPTSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL16112290 0.74 ALDH1A1 (0.55) MAPTSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL27321802 0.71 RAB9A (0.63) MAPTSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL4487380 0.71 AURKA (0.46) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4488627 0.71 AURKA (0.46) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL19544627 0.70 MAPK10 (0.44) MAPTSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL10172532 0.70 HPGDS (0.60) MAPTSMN1; SMN2ALDH1A1HPGDHSD17B10

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 MAPT 4821/4885SMN1; SMN2 4730/4885ALDH1A1 1062/4885

“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.