SCHEMBL874700

SCHEMBL874700

CCC(c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1)C(C)CN(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.51
OPRM1 P35372 1/20 0.51
ALDH1A1 P00352 4/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.39
GPR17 Q13304 1/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL873649 1.00 SLC22A1 (0.51) SLC22A1OPRM1ALDH1A1DRD2DRD1
Oxalic Acid SCHEMBL872708 0.95 SLC22A1 (0.49) SLC22A1OPRM1ALDH1A1DRD2DRD1
SCHEMBL14675624 0.85 SLC22A1 (0.60) SLC22A1OPRM1ALDH1A1LMNA
SCHEMBL30333892 0.85 SLC22A1 (0.60) SLC22A1OPRM1ALDH1A1LMNA
SCHEMBL1825788 0.82 ALDH1A1 (0.47) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL3573281 0.78 ACHE (0.50) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1824984 0.77 DRD2 (0.50) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1826892 0.77 ALDH1A1 (0.47) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL15092674 0.77 SLC22A1 (0.65) SLC22A1OPRM1L3MBTL1TDP1
SCHEMBL3898874 0.77 SLC22A1 (0.65) SLC22A1OPRM1L3MBTL1TDP1

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-8552219-B2 Process for preparing L-phenyl-3-dimethylaminopropane derivative IND-SWIFT LABORATORIES LIMITED (IN) 2013-10-08 US disclosed
EP-2619174-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE Ind-Swift Laboratories Limited (IN) 2013-07-31 EP disclosed
US-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2013-07-25 US disclosed
WO-2012038974-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-29 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-20130190522-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE CYP3A43, UGT1A1, UGT1A7 SLC22A1 1287/4885OPRM1 1207/4885ALDH1A1 93/4885

“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.