SCHEMBL4656331

SCHEMBL4656331

CN1CCC(CN)(c2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.64
OPRM1 P35372 1/20 0.47
SLC6A4 P31645 13/20 0.46
TACR1 P25103 7/20 0.45
KCNH2 Q12809 7/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SLC6A2 P23975 1/20 0.42

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
SCHEMBL17888282 0.84 OPRM1 (0.50) SLC6A3OPRM1SLC6A4MAOAMAOB
SCHEMBL4657317 0.83 SLC6A3 (0.60) SLC6A3OPRM1SLC6A4MAOAMAOB
SCHEMBL1672596 0.83 SLC6A3 (0.81) SLC6A3SLC6A4MAOAMAOBTAAR1
SCHEMBL6168782 0.83 OPRM1 (0.50) SLC6A3OPRM1SLC6A4TACR1KCNH2
SCHEMBL3155718 0.83 OPRM1 (0.51) SLC6A3OPRM1SLC6A4MAOAMAOB
SCHEMBL5166600 0.83 SLC6A4 (0.64) SLC6A3OPRM1SLC6A4TACR1KCNH2
SCHEMBL468959 0.82 MAOA (0.68) SLC6A3OPRM1SLC6A4TACR1KCNH2
SCHEMBL4657305 0.82 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL4657320 0.81 SLC6A4 (0.48) SLC6A3SLC6A4TACR1KCNH2MAOA
Hydrochloric Acid SCHEMBL3597198 0.81 MAOA (0.66) SLC6A3OPRM1SLC6A4TACR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20060241142-A1 Naphthamide derivatives and their use ALEATEL WIRELESS, INC. 2006-10-26 US disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1549615-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004020411-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2004-03-11 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 (2 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-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 SLC6A3 1270/4885OPRM1 161/4885SLC6A4 752/4885
US-20060241142-A1 Naphthamide derivatives and their use NPM1, H1-4, H1-3 SLC6A3 2056/4885OPRM1 696/4885SLC6A4 1749/4885

“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.