SCHEMBL4960243

SCHEMBL4960243

CC(CCN)Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.55
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP2A6 P11509 1/20 0.51
HRH1 P35367 2/20 0.49
FDPS P14324 1/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
TBXAS1 P24557 2/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4960033 0.90 CYP2A6 (0.57) CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL7288023 0.86 CHRNA7 (0.53) CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL19737206 0.86 CHRNA7 (0.53) CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL4959182 0.85 FDPS (0.45) CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL18934268 0.84 TDP1 (0.51) CHRNA7CYP2D6FDPSCHRNB2CHRNA4
SCHEMBL8217779 0.80 CHRNB2 (0.50) CHRNA7CYP2D6FDPSCHRNB2CHRNA4
SCHEMBL4957680 0.80 CYP2D6 (0.46) CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL18896391 0.80 TDP1 (0.60) CHRNA7CYP2D6CYP2A6FDPSCHRNB2
SCHEMBL21361315 0.79 CHRNA7 (0.55) CHRNA7CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL4957635 0.79 FDPS (0.46) CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders CALDWELL WILLIAM SCOTT (US) 2002-03-14 US claimed
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP claimed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO claimed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
EP-1997806-A1 Pahrmaceutical compositions for prevention and treatment of central nervous system disorders Targacept, Inc. (US) 2008-12-03 EP disclosed
US-6555684-B2 A pyridine or pyrimidine derivatives containing primary, secondary or tertiary amine group TARGACEPT, INC. 2003-04-29 US disclosed
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders CALDWELL WILLIAM SCOTT (US) 2002-03-14 US disclosed
US-5616716-A (3-(5-ethoxypyridin)yl)-alkenyl 1 amine compounds TARGACEPT, INC. 1997-04-01 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-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders PMP22, AANAT, CHAT CHRNA7 13/4885CYP2D6 237/4885CYP3A4 445/4885

“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.