Sugi Predict

Sugi Predict / Compounds / SCHEMBL1145955

SCHEMBL1145955

SCHEMBL1145955

Cc1cc(-c2ccc(OC3CCN4CCCC3C4)nn2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 6/20 0.49
▸ IL1B P01584 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ CHRNB2 P17787 4/20 0.33
▸ CHRNB4 P30926 4/20 0.33
▸ CHRNA3 P32297 4/20 0.33
▸ CHRNA4 P43681 4/20 0.33
▸ DRD4 P21917 3/20 0.33
▸ TMEM97 Q5BJF2 3/20 0.33
▸ SIGMAR1 Q99720 3/20 0.33
▸ GRIN2B Q13224 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ OXTR P30559 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ TLR7 Q9NYK1 2/20 0.31

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
SCHEMBL1145957 1.00 CHRNA7 (0.49) CHRNA7IL1BNLRP3CHRNB2CHRNB4
SCHEMBL1145524 0.92 CHRNA7 (0.49) CHRNA7IL1BNLRP3CHRNB2CHRNB4
SCHEMBL1145521 0.92 CHRNA7 (0.49) CHRNA7IL1BNLRP3CHRNB2CHRNB4
SCHEMBL1145554 0.91 CHRNA7 (0.52) CHRNA7IL1BNLRP3CHRNB2CHRNB4
SCHEMBL1145550 0.91 CHRNA7 (0.52) CHRNA7IL1BNLRP3CHRNB2CHRNB4
SCHEMBL1146427 0.91 CHRNA7 (0.52) CHRNA7IL1BNLRP3CHRNB2CHRNB4
SCHEMBL1146424 0.91 CHRNA7 (0.52) CHRNA7IL1BNLRP3CHRNB2CHRNB4
SCHEMBL1581827 0.86 CHRNA7 (0.40) CHRNA7IL1BNLRP3
SCHEMBL1145858 0.86 CHRNA7 (0.40) CHRNA7IL1BNLRP3
SCHEMBL1146544 0.85 CHRNA7 (0.49) CHRNA7IL1BNLRP3CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475811-B2 1-aza-bicyclo[3.3.1]nonanes NOVARTIS AG (CH) 2016-10-25 — — US disclosed
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2015-03-26 — — US disclosed
US-8933090-B2 1-aza-bicyclo[3.3.1]nonanes NOVARTIS AG (CH) 2015-01-13 — — US disclosed
EP-1761533-B8 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2011-10-12 — — EP disclosed
EP-2336129-A1 1-aza-bicyclo[3.3.1]nonanes Novartis AG (CH) 2011-06-22 — — EP disclosed
EP-1761533-B1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2011-04-20 — — EP disclosed
US-20110034475-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG 2011-02-10 — — US disclosed
US-20070249657-A1 1-Aza-Bicyclo3.3.1Nonanes NOVARTIS AG (CH) 2007-10-25 — — US disclosed
EP-1761533-A1 1-AZA-BICYCLO[3.3.1]NONANES Novartis AG (CH) 2007-03-14 — — EP disclosed
WO-2005123732-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2005-12-29 — — 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-20070249657-A1 1-Aza-Bicyclo3.3.1Nonanes CBR3, CBR1, HCAR3 CHRNA7 119/4885IL1B 4589/4885NLRP3 4610/4885
US-20110034475-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, HRH4 CHRNA7 208/4885IL1B 4662/4885NLRP3 4715/4885
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, ADCY3 CHRNA7 228/4885IL1B 4426/4885NLRP3 4746/4885

“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.