SCHEMBL872966

SCHEMBL872966

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 4/20 0.50
P2RY2 P41231 2/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
G6PD P11413 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 3/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 2/20 0.46
ENPP2 Q13822 1/20 0.46
HPGD P15428 1/20 0.46
ENPP1 P22413 1/20 0.45
HSD11B1 P28845 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL5314659 0.88 GPR17 (0.49) GPR17P2RY2GAAMAPTG6PD
SCHEMBL28680003 0.85 GAA (0.60) GPR17P2RY2GAAMAPTG6PD
SCHEMBL4648365 0.85 MAOB (0.56) GPR17P2RY2GAAMAPTG6PD
SCHEMBL14878588 0.82 TCF4 (0.60) GPR17P2RY2GAAMAPTG6PD
SCHEMBL10531076 0.79 GPR17 (0.42) GPR17P2RY2GAAMAPTG6PD
SCHEMBL27283109 0.78 DRD2 (0.45) GPR17P2RY2GAAMAPTG6PD
SCHEMBL4138555 0.78 HTT (0.61) GPR17P2RY2GAAMAPTG6PD
SCHEMBL1825099 0.77 LMNA (0.48) GPR17GAAMAPTG6PDNPSR1
SCHEMBL873048 0.77 EGFR (0.60) GPR17P2RY2GAAMAPTG6PD
SCHEMBL873049 0.77 EGFR (0.60) GPR17P2RY2GAAMAPTG6PD

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 GPR17 3666/4885P2RY2 3200/4885GAA 670/4885

“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.