SCHEMBL7103763

SCHEMBL7103763

CNCCCOc1cccnc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.53
SLC6A4 P31645 2/20 0.53
HTR1B P28222 4/20 0.51
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
HTR1D P28221 2/20 0.46
LMNA P02545 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
CHRNB1 P11230 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 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
SCHEMBL27137198 0.95 HTR1B (0.57) HRH1SLC6A4HTR1BCYP1A2CYP3A4
SCHEMBL7245296 0.80 CHRNB2 (0.46) CYP1A2CYP3A4CYP2C9CHRNB2CHRNA4
SCHEMBL14224809 0.80 CYP2C19 (0.56) CYP1A2CYP3A4CYP2C9CHRNB2CHRNA4
SCHEMBL1115580 0.79 MAPT (0.62) HRH1SLC6A4CYP1A2CYP3A4LMNA
SCHEMBL8126961 0.79 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CHRNB2CHRNA4
SCHEMBL6655861 0.78 CHRNB2 (0.51) CYP1A2CYP2C9CHRNB2CHRNA4CHRNB1
SCHEMBL20298851 0.78 SLC6A4 (0.63) HRH1SLC6A4HTR1BHTR1D
SCHEMBL27684835 0.77 PDE5A (0.50) CYP1A2CYP3A4CYP2C9CHRNB2CHRNA4
SCHEMBL4307757 0.77 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3528380 0.77 KDM4E (0.55) HTR1BTP53CYP1A2CYP2C9CHRNB2

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 HRH1 628/4885SLC6A4 40/4885HTR1B 66/4885
US-20010014691-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PNMT, HNMT, CHRM3 HRH1 510/4885SLC6A4 68/4885HTR1B 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.