SCHEMBL4979311

SCHEMBL4979311

C=CCOc1ccc(OC)c(C(=O)N(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
PTPN1 P18031 3/20 0.47
KDM4E B2RXH2 1/20 0.47
FLT3 P36888 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
GAA P10253 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL4982441 0.89 ALDH1A1 (0.60) ALDH1A1PTPN1KDM4EFLT3MAPT
SCHEMBL9730094 0.85 ALDH1A1 (0.53) ALDH1A1PTPN1KDM4EFLT3NPSR1
SCHEMBL7511970 0.81 MAPT (0.62) ALDH1A1KDM4ENPSR1MAPTHTT
SCHEMBL1938254 0.76 ALDH1A1 (0.64) ALDH1A1PTPN1KDM4EFLT3KMT2A
SCHEMBL24436737 0.76 ALDH1A1 (0.58) ALDH1A1PTPN1KDM4EFLT3MAPT
Bicarbonate SCHEMBL28084451 0.75 ALDH1A1 (0.49) ALDH1A1PTPN1KDM4EFLT3MAPT
SCHEMBL22215820 0.75 KDM4E (0.57) ALDH1A1KDM4EFLT3MAPTGAA
Bicarbonate SCHEMBL28084450 0.74 ALDH1A1 (0.48) ALDH1A1PTPN1KDM4EFLT3NPSR1
SCHEMBL18614861 0.74 GAA (0.70) ALDH1A1KDM4EFLT3MAPTGAA
SCHEMBL15447613 0.74 KAT6A (0.49) ALDH1A1PTPN1KDM4EFLT3NPSR1

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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP 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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B ALDH1A1 91/4885PTPN1 3204/4885KDM4E 1637/4885

“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.