SCHEMBL5866341

SCHEMBL5866341

N[C@@H](CCCc1ccc(Cl)cc1)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.60
S1PR1 P21453 2/20 0.60
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
CYP2C9 P11712 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
GABBR2 O75899 3/20 0.45
GABBR1 Q9UBS5 3/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD3 P35462 1/20 0.45
BLM P54132 1/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45

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
Hydrochloric Acid SCHEMBL5702675 0.98 S1PR2 (0.58) S1PR2S1PR1PPARGPPARACYP2C9
Bromide SCHEMBL5702706 0.98 S1PR2 (0.58) S1PR2S1PR1PPARGPPARACYP2C9
SCHEMBL6467442 0.90 S1PR2 (0.63) S1PR2S1PR1PPARGPPARACYP2C9
SCHEMBL27453353 0.85 S1PR2 (0.60) S1PR2S1PR1LMNAS1PR3HDAC3
SCHEMBL1669596 0.85 S1PR2 (0.60) S1PR2S1PR1LMNAS1PR3HDAC3
SCHEMBL4991043 0.82 S1PR2 (0.48) S1PR2S1PR1PPARGPPARACYP2C9
SCHEMBL6049800 0.80 S1PR2 (0.63) S1PR2S1PR1KMT2AS1PR3HDAC3
SCHEMBL5079189 0.80 PPARA (0.59) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL5079192 0.80 PPARA (0.59) PPARGPPARAHDAC3HDAC4HDAC1
SCHEMBL4990585 0.80 S1PR2 (0.49) S1PR2S1PR1PPARGPPARACYP2C9

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-7045653-B2 cyclopentyl substituted glutaramide derivatives; inhibitors of neutral endopeptidase which may be used to treat cardiovascular disorders, especially hypertension PFIZER, INC. (US) 2006-05-16 US disclosed
US-20050075392-A1 Novel pharmaceuticals DACK KEVIN NEIL (GB) 2005-04-07 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-20050075392-A1 Novel pharmaceuticals MME, ECE1, ECE2 S1PR2 1206/4885S1PR1 761/4885PPARG 3845/4885

“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.