SCHEMBL3077907

SCHEMBL3077907

O=[C]N1CCCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55
CHRNA4 P43681 1/20 0.55
RIPK1 Q13546 1/20 0.47
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
SLC18A3 Q16572 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
EPHX2 P34913 2/20 0.40

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
SCHEMBL3025247 0.95 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4158113 0.82 CYP1A2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25173925 0.81 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28187303 0.76 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4144797 0.76 CHRNA7 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4153653 0.75 HSD11B1 (0.40) RIPK1
SCHEMBL3448013 0.74 HTR2C (0.42) SLC18A3
SCHEMBL18083069 0.71 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15836592 0.71 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13238778 0.71 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US claimed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US claimed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP claimed
EP-1858849-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2007-11-28 EP claimed
EP-1841740-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES Novartis AG (CH) 2007-10-10 EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO claimed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO claimed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 WO claimed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO claimed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
CN-1259942-A Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-07-12 CN disclosed
EP-0993448-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-19 EP disclosed
WO-1998057934-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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 (3 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE CHRNB2 3064/4885CHRNB4 1921/4885CHRNA3 1047/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 CHRNB2 4570/4885CHRNB4 4283/4885CHRNA3 2280/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO CHRNB2 4159/4885CHRNB4 2974/4885CHRNA3 2290/4885

“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.