SCHEMBL499691

SCHEMBL499691

CNCCN(CCCNC(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.45
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EPHX1 P07099 3/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4753581 0.85 TMEM97 (0.45) MTNR1AMTNR1BMAPTALDH1A1TMEM97
SCHEMBL499259 0.81 ALDH1A1 (0.46) MTNR1AMTNR1BMAPTALDH1A1TMEM97
SCHEMBL499688 0.81 ALDH1A1 (0.40) MTNR1AMTNR1BMAPTALDH1A1TMEM97
SCHEMBL499055 0.75 REN (0.55)
SCHEMBL499872 0.73 RAB9A (0.54) MTNR1AMTNR1BMAPTALDH1A1RAB9A
SCHEMBL11430390 0.72 MAPT (0.50) MAPTALDH1A1NPC1GAANPSR1
SCHEMBL11663104 0.71 KMT2A (0.54) MAPTALDH1A1GAA
SCHEMBL499710 0.71 ALDH1A1 (0.41) MTNR1AMTNR1BMAPTALDH1A1TMEM97
SCHEMBL11133767 0.68 MAPT (0.65) MAPTALDH1A1GAAHPGDEPHX1
SCHEMBL14991782 0.68 SMN1; SMN2 (0.62) MAPTALDH1A1NPC1GAARAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP MTNR1A 1390/4885MTNR1B 1099/4885MAPT 935/4885

“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.