SCHEMBL6070129

SCHEMBL6070129

COc1ccccc1N1CCN(CC(N)Cc2cccnc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
RECQL P46063 1/20 0.48
IGF1R P08069 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL6069916 1.00 DRD2 (0.55) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL6070108 0.88 DRD2 (0.51) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL6070259 0.88 DRD2 (0.51) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7793671 0.87 ADRA1D (0.62) DRD2DRD4DRD3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7029024 0.86 ADRA1D (0.61) DRD2DRD4DRD3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7029018 0.86 ADRA1D (0.61) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7536579 0.82 HTR1A (0.56) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL6178229 0.81 MEN1 (0.55) DRD2DRD4MAPK1MEN1KMT2A
SCHEMBL6069919 0.80 LMNA (0.54) LMNATP53MAPTTHRBMEN1
SCHEMBL6070007 0.80 MAPT (0.51) DRD2DRD4DRD3ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067518-B2 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH (US) 2006-06-27 US claimed
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH 2005-05-19 US claimed
US-7067518-B2 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH (US) 2006-06-27 US disclosed
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH 2005-05-19 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-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents HTR1A, HTR5A, HTR2C DRD2 35/4885DRD4 46/4885DRD3 43/4885

“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.