SCHEMBL499688

SCHEMBL499688

COC(=O)NCCCN(CCN(C)C(=O)OC(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
DRD2 P14416 5/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
AHCY P23526 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTSL P07711 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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 0.86 TMEM97 (0.45) ALDH1A1MAPTMTNR1AMTNR1BTMEM97
SCHEMBL499710 0.84 ALDH1A1 (0.41) ALDH1A1MAPTDRD2MTNR1AMTNR1B
SCHEMBL499700 0.84 MAPT (0.44) ALDH1A1MAPTMTNR1AMTNR1BAHCY
SCHEMBL499691 0.81 MTNR1A (0.47) ALDH1A1MAPTMTNR1AMTNR1BTMEM97
SCHEMBL4754228 0.80 ALDH1A1 (0.37) ALDH1A1MAPTDRD2MTNR1AMTNR1B
SCHEMBL498921 0.74 REN (0.39) MAPTAHCYCTSLLMNATSHR
SCHEMBL499264 0.74 REN (0.39) MAPTAHCYCTSLLMNATSHR
SCHEMBL26599038 0.74 SUV39H2 (0.49) ALDH1A1MAPTMTNR1AMTNR1BNPC1
SCHEMBL499056 0.72 REN (0.55)
SCHEMBL4754043 0.71 SLC6A4 (0.40) MAPTTSHRMAPK1KDM4E

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-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

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 ALDH1A1 1991/4885MAPT 935/4885DRD2 2036/4885

“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.