SCHEMBL4979438

SCHEMBL4979438

CNCCOc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.55
HTR1B P28222 4/20 0.55
HTR1D P28221 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTR2A P28223 1/20 0.55
HTT P42858 1/20 0.55
SLC6A4 P31645 7/20 0.50
HRH1 P35367 1/20 0.50
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
KCNH2 Q12809 1/20 0.48
SLC22A6 Q4U2R8 2/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 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
SCHEMBL31744652 0.80 SLC22A6 (0.50) HTR1AKDM4EALDH1A1HTTSLC6A4
SCHEMBL6989106 0.78 SLC22A6 (0.47) HTR1AHTR1BHTR1DALDH1A1HTR2A
SCHEMBL11219841 0.78 SLC22A6 (0.51) ALDH1A1SLC22A6MEN1MAPTKMT2A
SCHEMBL5229462 0.78 SLC22A6 (0.54) HTR1AHTR1BHTR1DKDM4EHTR2A
SCHEMBL31744918 0.77 SSTR2 (0.51) HTR1AHTR1BHTR1DKDM4EHTR2A
SCHEMBL3555909 0.77 HTR1B (0.55) HTR1AHTR1BKDM4EALDH1A1HTR2A
SCHEMBL6990155 0.77 SLC22A6 (0.50) HTR1AALDH1A1SLC6A4SLC22A6MEN1
SCHEMBL7908960 0.74 HTR1B (0.69) HTR1AHTR1BHTR1DKDM4EALDH1A1
SCHEMBL1198964 0.74 SLC22A6 (0.50) HTR1AHTR1BHTR1DKDM4EALDH1A1
SCHEMBL25881453 0.74 HTR2A (0.50) HTR1AHTR1BHTR1DHTR2ASLC6A4

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-7449455-B2 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2008-11-11 US disclosed
US-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2008-01-24 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-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents BRCA1, PKD2, CYP19A1 HTR1A 808/4885HTR1B 439/4885HTR1D 1261/4885

“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.