SCHEMBL10071233

SCHEMBL10071233

CC(=O)NC1=CCC(c2ccc(Cl)c(C)c2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
DRD1 P21728 1/20 0.36
SLC6A3 Q01959 5/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 2/20 0.35
CYP2D6 P10635 2/20 0.35
MTOR P42345 2/20 0.35
STING1 Q86WV6 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL20340496 1.00 SLC6A2 (0.37) SLC6A2SLC6A4DRD1SLC6A3CYP1A2
SCHEMBL10050930 1.00 SLC6A2 (0.37) SLC6A2SLC6A4DRD1SLC6A3CYP1A2
SCHEMBL10070677 0.91 SMN1; SMN2 (0.40) SLC6A2SLC6A4DRD1SLC6A3CYP1A2
SCHEMBL20341083 0.91 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL29757853 0.91 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL331963 0.91 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL331962 0.91 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL20436757 0.81 STING1 (0.38) SLC6A2SLC6A4SLC6A3STING1MEN1
SCHEMBL13823807 0.81 STING1 (0.38) SLC6A2SLC6A4SLC6A3STING1MEN1
SCHEMBL15491022 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4

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-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 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 (2 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-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 SLC6A2 374/4885SLC6A4 827/4885DRD1 1287/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 SLC6A2 374/4885SLC6A4 827/4885DRD1 1287/4885

“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.