SCHEMBL1907131

SCHEMBL1907131

CC1=NCC(C)(c2ccc(F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.38
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 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
SCHEMBL9230998 0.72 MAOB (0.43) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL13361601 0.69 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL8365226 0.69 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL14625430 0.67 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL12691648 0.65 MAOB (0.40) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL6925220 0.64 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL20743121 0.63 SLC6A3 (0.42) NPY5RSLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL21131147 0.63 MAOB (0.43) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL13097039 0.63 OPRL1 (0.38) NPY5RSLC6A3SLC6A2CHRNB2CHRNB4
SCHEMBL6926354 0.63 OPRM1 (0.51) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160238-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) 2011-06-30 US disclosed
EP-2315766-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT 55pharma Drug Discovery & Development AG (AT) 2011-05-04 EP disclosed
EP-2266967-A1 Intermediates for the preparation of octahydroquinolizines 55pharma Drug Discovery & Development AG (AT) 2010-12-29 EP disclosed
WO-2010144937-A2 INTERMEDIATES FOR THE PREPARATION OF OCTAHYDROQUINOLIZINES 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) 2010-12-23 WO disclosed
WO-2010022412-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT 55PHARMA DRUG DISCOVERY & DEVELOPMENT AG (AT) 2010-03-04 WO 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-20110160238-A1 OCTAHYDROQUINOLIZINES FOR ANTIDIABETIC TREATMENT SLC5A2, GPR119, ZYX NPY5R 29/4885SLC6A3 1094/4885SLC6A2 231/4885

“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.