SCHEMBL20345834

SCHEMBL20345834

CCC[C@H](O)C(C)N1c2ccccc2CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 4/20 0.40
CYP3A4 P08684 3/20 0.40
LMNA P02545 2/20 0.40
SLC22A1 O15245 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA1A P35348 2/20 0.40
DRD3 P35462 2/20 0.40
CACNA1B Q00975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 2/20 0.40
THPO P40225 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 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
SCHEMBL20349187 0.78 SLC6A2 (0.42) SLC6A2L3MBTL1SLC6A4CYP3A4LMNA
SCHEMBL20345836 0.76 LMNA (0.41) SLC6A2L3MBTL1SLC6A4CYP3A4LMNA
SCHEMBL13057486 0.73 SLC6A2 (0.46) SLC6A2L3MBTL1SLC6A4CYP3A4LMNA
SCHEMBL1102396 0.72 L3MBTL1 (0.49) SLC6A2L3MBTL1SLC6A4CYP3A4LMNA
SCHEMBL7172308 0.70 HTR2A (0.54) SLC6A2L3MBTL1SLC6A4CYP3A4LMNA
SCHEMBL20349230 0.70 CHRM2 (0.39) SLC6A2L3MBTL1SLC6A4CYP3A4LMNA
SCHEMBL20707835 0.70 PTGS1 (0.49) SLC6A2SLC6A4CYP3A4LMNASLC22A1
SCHEMBL20345843 0.70 CHRM2 (0.39) SLC6A2L3MBTL1SLC6A4CYP3A4LMNA
SCHEMBL3633070 0.69 L3MBTL1 (0.47) SLC6A2L3MBTL1SLC6A4SLC22A1CHRM2
SCHEMBL20345842 0.69 HTR2A (0.40) CHRM1ADRA1ADRD3KCNH2CYP2D6

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-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 US disclosed
US-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 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-20180185382-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER PPP2CA, PPP3CA, PPP4C SLC6A2 4742/4885L3MBTL1 2758/4885SLC6A4 4761/4885

“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.