SCHEMBL3240657

SCHEMBL3240657

CN(C)C1(C(NC(=O)c2ccccc2-c2cccc(Cl)c2)c2ccccc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.43
CHRM1 P11229 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM3 P20309 2/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A9 P48067 1/20 0.40
KLRK1 P26718 3/20 0.39
MICA Q29983 3/20 0.39
RAET1L Q5VY80 3/20 0.39
DCAF1 Q9Y4B6 1/20 0.38
MAPK1 P28482 3/20 0.38

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
SCHEMBL3239515 0.94 KCNA3 (0.44) TACR3CHRM1CHRM2CHRM4CHRM3
SCHEMBL3238239 0.93 CHRM1 (0.42) TACR3CHRM1KEAP1NFE2L2CYP3A4
SCHEMBL3237670 0.89 GAA (0.44) TACR3KLRK1MICARAET1L
SCHEMBL3237602 0.84 GPR139 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9
SCHEMBL3234711 0.83 SLC6A9 (0.40) SLC6A9KLRK1MICARAET1L
SCHEMBL3244199 0.82 MEN1 (0.49) CYP2C19SLC6A9P2RX7
SCHEMBL4355245 0.82 MEN1 (0.41) TACR3KEAP1NFE2L2CYP3A4CYP2D6
SCHEMBL3239983 0.81 UTS2R (0.42) CYP3A4CYP2D6CYP2C9CYP2C19SLC6A9
SCHEMBL3244891 0.81 SLC6A9 (0.59) SLC6A9P2RX7
SCHEMBL3237802 0.80 SLC6A9 (0.48) CYP3A4CYP2C9CYP2C19SLC6A9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 TACR3 1512/4885CHRM1 2029/4885CHRM2 2364/4885

“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.