SCHEMBL6154768

SCHEMBL6154768

CN(c1ccc(C(N)=O)cc1Cl)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.42
KCNH2 Q12809 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 1/20 0.39
TOP2A P11388 3/20 0.39
HSP90AB1 P08238 2/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
RORC P51449 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
PDK1 Q15118 1/20 0.36
PAK1 Q13153 1/20 0.36

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
SCHEMBL6156471 0.77 JAK3 (0.40) SLC6A4KCNH2SLC6A2SLC6A3MEN1
SCHEMBL27790242 0.74 ALDH1A1 (0.44) SLC6A4SLC6A2SLC6A3ALDH1A1MEN1
SCHEMBL83792 0.72 SLC6A4 (0.47) SLC6A4KCNH2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL70661 0.71 SLC6A4 (0.46) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL25389337 0.71 NOS2 (0.45) SLC6A4KCNH2SLC6A2SLC6A3CYP2D6
SCHEMBL31283484 0.71 NOS2 (0.45) SLC6A4KCNH2SLC6A2SLC6A3CYP2D6
SCHEMBL6154711 0.70 TOP2A (0.47) TOP2AHSP90AB1PAK1
SCHEMBL15337010 0.70 KMO (0.62)
SCHEMBL2466000 0.69 SLC6A4 (0.36) SLC6A4KCNH2SLC6A2SLC6A3TOP2A
SCHEMBL16670240 0.68 SLC6A4 (0.41) SLC6A4KCNH2SLC6A2ALDH1A1JAK3

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 SLC6A4 712/4885KCNH2 118/4885SLC6A2 337/4885

“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.