SCHEMBL6069904

SCHEMBL6069904

COc1ccccc1N1CCN(CC(N)Cc2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 2/20 0.51
DRD2 P14416 7/20 0.51
DRD3 P35462 4/20 0.51
ADRA1A P35348 3/20 0.51
RECQL P46063 1/20 0.50
HTR1A P08908 4/20 0.49
DRD4 P21917 1/20 0.49
IGF1R P08069 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 5/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTR2A P28223 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HIF1A Q16665 2/20 0.48
HTT P42858 2/20 0.48
NR1I2 O75469 1/20 0.48
NR3C1 P04150 1/20 0.48

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
SCHEMBL6070007 1.00 MAPT (0.51) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6070410 0.84 RECQL (0.54) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6070638 0.84 HTR1A (0.52) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6070259 0.83 DRD2 (0.51) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6070108 0.83 DRD2 (0.51) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL7793671 0.82 ADRA1D (0.62) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6547111 0.81 MAPT (0.53) MAPTALDH1A1DRD2DRD3ADRA1A
Hydrochloric Acid SCHEMBL7029024 0.81 ADRA1D (0.61) MAPTALDH1A1DRD2DRD3ADRA1A
Hydrochloric Acid SCHEMBL7029018 0.81 ADRA1D (0.61) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6069916 0.80 DRD2 (0.55) MAPTDRD2DRD3ADRA1ARECQL

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 MAPT 3040/4885ALDH1A1 1298/4885DRD2 35/4885

“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.