SCHEMBL4324967

SCHEMBL4324967

Clc1cc(Cl)cc(CN(C[C@@H]2CCNC2)C2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.61
SLC6A4 P31645 13/20 0.61
SLC6A3 Q01959 8/20 0.61
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 3/20 0.43
TSHR P16473 1/20 0.43
NOS2 P35228 3/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TACR1 P25103 1/20 0.33

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
Cadaverine Tartrate SCHEMBL4324711 0.90 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4323584 0.88 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4318125 0.88 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4327434 0.84 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL13613089 0.84 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL4325433 0.84 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL13613086 0.84 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL5804550 0.83 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6NOS2
SCHEMBL4489407 0.83 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3CYP2D6NOS2
Cadaverine Tartrate SCHEMBL4317675 0.80 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6NOS2

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-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 US disclosed
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 US disclosed
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 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-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake SLC6A2, TPH1, SLC6A3 SLC6A2 1/4885SLC6A4 8/4885SLC6A3 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.