SCHEMBL6790586

SCHEMBL6790586

Cc1ccccc1C(=O)C(C)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.61
SLC6A3 Q01959 7/20 0.61
SLC6A4 P31645 2/20 0.61
CHRNB4 P30926 6/20 0.56
CHRNA3 P32297 6/20 0.56
CHRNB2 P17787 5/20 0.56
CHRNA4 P43681 5/20 0.56
CHRNA1 P02708 4/20 0.56
CHRNG P07510 4/20 0.56
CHRNB1 P11230 4/20 0.56
CHRND Q07001 4/20 0.56
ALDH1A1 P00352 5/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ATM Q13315 2/20 0.54
MAOB P27338 1/20 0.54
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL1072701 0.78 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL10392066 0.78 ALDH1A1 (0.52) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL8254272 0.78 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL4936216 0.77 CHRM2 (0.61) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
SCHEMBL13304408 0.77 CHRM2 (0.61) SLC6A2SLC6A3SLC6A4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10728832 0.77 SLC6A2 (0.68) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
Bromide SCHEMBL13729160 0.77 SLC6A2 (0.68) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL10734713 0.77 CYP2C9 (0.65) ALDH1A1HTTMEN1KMT2A
SCHEMBL28360223 0.76 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3
SCHEMBL11037118 0.76 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4CHRNB4CHRNA3

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-6770636-B2 CENTRAL NERVOUS SYSTEM DISORDERS THERAPY BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-08-03 US disclosed
US-20020042410-A1 Phenyl-and phenylalkyl-substituted ethanolamines and ethylenediamines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-11 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-20020042410-A1 Phenyl-and phenylalkyl-substituted ethanolamines and ethylenediamines AOC2, CYC1, CYCS SLC6A2 1559/4885SLC6A3 782/4885SLC6A4 2462/4885

“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.