SCHEMBL5908682

SCHEMBL5908682

N#CCN1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
PIK3CD O00329 1/20 0.40
BACE1 P56817 1/20 0.38
PIK3CG P48736 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CDK1 P06493 2/20 0.37
KDR P35968 2/20 0.37
ATM Q13315 1/20 0.37
AKT1 P31749 2/20 0.37
PIK3C2B O00750 1/20 0.37
MTOR P42345 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 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
SCHEMBL6854970 0.84 KMT2A (0.50) FAAHPDE10AALDH1A1LMNAKDM4E
SCHEMBL6853013 0.83 HRH3 (0.48) FAAHPDE10AALDH1A1PIK3CDBACE1
SCHEMBL6853077 0.80 HTR2B (0.49) FAAHALDH1A1KDM4EHTTKMT2A
SCHEMBL6848678 0.80 TACR2 (0.53) FAAHPDE10ALMNAPIK3CDBACE1
SCHEMBL6848935 0.80 SLC2A1 (0.44) FAAHPDE10AALDH1A1PIK3CDBACE1
SCHEMBL5442168 0.80 PDE10A (0.43) FAAHPDE10AALDH1A1PIK3CDPIK3CG
SCHEMBL6853643 0.79 TSHR (0.55) ALDH1A1LMNAKDM4EHTTMEN1
SCHEMBL6853186 0.79 LDHA (0.49) FAAHPDE10APIK3CDBACE1PIK3CG
SCHEMBL5945358 0.79 SLC2A1 (0.46) FAAHPDE10APIK3CDPIK3CGAKT1
SCHEMBL6851670 0.78 PDE10A (0.43) FAAHPDE10AALDH1A1PIK3CDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223819-A1 Quinoline Derivatives as NK-3 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2006-10-05 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-20060223819-A1 Quinoline Derivatives as NK-3 Antagonists KCNK3, KCNQ3, KCNN3 FAAH 2821/4885PDE10A 1613/4885ALDH1A1 2191/4885

“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.