SCHEMBL4247783

SCHEMBL4247783

CN(Cc1cccc(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
HRH4 Q9H3N8 1/20 0.54
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4246775 0.92 SLC6A2 (0.53) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL17285891 0.85 ALDH1A1 (0.56) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL22878459 0.85 SLC6A2 (0.47) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL21500972 0.83 SLC6A2 (0.46) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL17284449 0.83 SLC6A2 (0.46) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL17282009 0.82 UBE2M (0.48) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL24970327 0.80 SLC6A2 (0.54) SLC6A2SLC6A4OPRM1OPRL1PSEN1
SCHEMBL20567196 0.80 SLC6A2 (0.54) SLC6A2SLC6A4OPRM1OPRL1PSEN1
SCHEMBL20858743 0.78 SLC6A4 (0.46) SLC6A2SLC6A4POLBRAB9AOPRM1
SCHEMBL4243270 0.77 HTR2A (0.56) SLC6A2SLC6A4OPRM1OPRL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAYZME PHARMACEUTICALS LTD. (CA) 2009-05-28 US disclosed
EP-1871357-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE Inflazyme Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
WO-2006108149-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAZYME PHARMACEUTICALS LTD. (CA) 2006-10-12 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-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE CYP2A6, CYP2B6, CYP2D6 HRH3 833/4885HRH4 673/4885SLC6A2 74/4885

“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.