SCHEMBL15580928

SCHEMBL15580928

CCOc1ccc(C(=O)NC[C@H]2C[C@@H]2CN2CCN(c3csc4cc(C(F)(F)F)ccc34)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
DRD3 P35462 4/20 0.41
DRD2 P14416 3/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
DRD4 P21917 1/20 0.41
ADRA1A P35348 1/20 0.38
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGAT1 O75907 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4301030 0.83 ADRA1A (0.54) DRD3DRD2HTR1ADRD4ADRA1A
SCHEMBL13809540 0.78 ADRA1A (0.53) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL13809829 0.78 KDM4E (0.39) HTR2ADRD4ADRA1ALMNAMAPT
SCHEMBL4303438 0.78 KDM4E (0.39) HTR2ADRD4ADRA1ALMNAMAPT
SCHEMBL2955859 0.78 ADRA1A (0.38) HTR1AHTR2ADRD4ADRA1AMAPT
SCHEMBL2955868 0.78 ADRA1A (0.38) HTR1AHTR2ADRD4ADRA1AMAPT
SCHEMBL2957077 0.78 ADRA1A (0.38) HTR1AHTR2ADRD4ADRA1AMAPT
SCHEMBL2955865 0.78 ADRA1A (0.38) HTR1AHTR2ADRD4ADRA1AMAPT
SCHEMBL2957073 0.78 ADRA1A (0.38) HTR1AHTR2ADRD4ADRA1AMAPT
SCHEMBL4308612 0.76 KDM4E (0.39) HTR2AHTR2CDRD4ADRA1ALMNA

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-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 US disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 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-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS HDHD5, DRD4, DRD2 ALDH1A1 3944/4885DRD3 6/4885DRD2 3/4885

“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.