SCHEMBL7103830

SCHEMBL7103830

CNCCCOc1cncc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
HTR1B P28222 2/20 0.49
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
HTR1D P28221 1/20 0.42
NSD2 O96028 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7101816 0.82 KDM4E (0.58) CHRNB2CHRNA4HTR1BCDC7ROCK2
SCHEMBL7102503 0.81 CHRNB2 (0.59) CHRNB2CHRNA4HTR1BCDC7ROCK2
SCHEMBL7575005 0.81 CHRNB2 (0.49) CHRNB2CHRNA4HTR1BCDC7ROCK2
SCHEMBL7241310 0.80 CHRNB2 (0.45) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL7550863 0.80 CYP11B1 (0.39) CHRNB2CHRNA4HTR1B
SCHEMBL7523854 0.79 POLB (0.50) CHRNB2CHRNA4HTR1BALDH1A1SMN1; SMN2
SCHEMBL16450715 0.79 HTR1B (0.65) CHRNB2CHRNA4HTR1BKDM4EHTR1D
SCHEMBL7526055 0.79 AKT1 (0.53) CHRNB2CHRNA4CDC7ROCK2MAP4K4
SCHEMBL7103954 0.79 HTR1B (0.57) CHRNB2CHRNA4HTR1BKDM4EHTR1D
SCHEMBL23461674 0.78 CHRNB2 (0.48) CHRNB2CHRNA4ROCK2MAP4K4PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500393-A 2003-01-07 JP claimed
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US claimed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP claimed
US-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-10-18 US claimed
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 US claimed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO claimed
US-6627648-B1 Relevant nicotinic receptor subtypes to any significant degree. central nervous system disorders, are treated by administering to a patient in need thereof amine derivatives TARGACEPT, INC. 2003-09-30 US disclosed
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US disclosed
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US disclosed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP disclosed
US-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-10-18 US disclosed
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 US disclosed
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. 2001-08-16 US disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 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-20010031771-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, TPMT, HTR7 CHRNB2 98/4885CHRNA4 32/4885HTR1B 66/4885
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 CHRNB2 32/4885CHRNA4 34/4885HTR1B 45/4885

“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.