SCHEMBL500703

SCHEMBL500703

CNC[C@H](C)[C@@H](OCC(C)NC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
ADRB3 P13945 8/20 0.40
ADRB1 P08588 6/20 0.40
ADRB2 P07550 6/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL499079 0.76 REN (0.48) HPGDCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL499080 0.76 REN (0.48) HPGDCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL499101 0.76 REN (0.48) HPGDCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL499046 0.70 SLC6A2 (0.52) SLC6A4SLC6A2ADRB3ADRB1ADRB2
SCHEMBL8229887 0.67 ADRB2 (0.42) SLC6A4SLC6A2ADRB3ADRB1ADRB2
SCHEMBL17330350 0.67 PNMT (0.56) HPGDMEN1KMT2A
SCHEMBL16403709 0.67 NPC1 (0.51) HPGDADRB3ADRB1ADRB2ALDH1A1
SCHEMBL16403707 0.67 NPC1 (0.51) HPGDADRB3ADRB1ADRB2ALDH1A1
SCHEMBL4596498 0.66 MAPK1 (0.51) MEN1KMT2A
SCHEMBL3446408 0.66 MAPK1 (0.51) MEN1KMT2A

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 2 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

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 HPGD 579/4885SLC6A4 603/4885SLC6A2 344/4885

“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.