SCHEMBL1136825

SCHEMBL1136825

NC1CCN(C(=O)N2CCC(N)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1B Q00975 2/20 0.38
HSD11B1 P28845 1/20 0.36
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 2/20 0.35
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
Hydrochloric Acid SCHEMBL1136694 0.97 GNAI3 (0.48) GNAI3GNAO1GNAI1ALDH1A1CHRM2
Hydrochloric Acid SCHEMBL1136691 0.97 GNAI3 (0.48) GNAI3GNAO1GNAI1ALDH1A1CHRM2
SCHEMBL382920 0.93 ALDH1A1 (0.56) GNAI3GNAO1GNAI1ALDH1A1CHRM2
SCHEMBL1412231 0.91 MCHR1 (0.41) GNAI3GNAO1GNAI1ALDH1A1CHRM2
SCHEMBL14417813 0.91 GNAI3 (0.41) GNAI3GNAO1GNAI1ALDH1A1CHRM2
SCHEMBL14275787 0.91 ALDH1A1 (0.61) GNAI3GNAO1GNAI1ALDH1A1CHRM2
SCHEMBL1412233 0.91 MCHR1 (0.41) GNAI3GNAO1GNAI1ALDH1A1CHRM2
SCHEMBL2437206 0.87 MEN1 (0.57) MEN1TP53KMT2A
SCHEMBL14417815 0.85 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1CHRM2
SCHEMBL1412129 0.84 MCHR1 (0.43) GNAI3GNAO1GNAI1ALDH1A1CACNA1B

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
CN-101687851-B Organic compounds NOVARTIS AG 2013-02-27 CN disclosed
US-8318935-B2 Organic compounds 75074 NOVARTIS AG (CH) 2012-11-27 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2332933-A1 Epithelial sodium channel (ENaC) inhibitors Novartis AG (CH) 2011-06-15 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
EP-2155721-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-23 EP disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100105660-A1 ORGANIC COMPOUNDS75074 NOVARTIS AG (CH) 2010-04-29 US disclosed
CN-101687851-A organic compounds NOVARTIS AG 2010-03-31 CN disclosed
EP-2155721-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-02-24 EP disclosed
EP-2018388-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2008135557-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-11-13 WO disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 GNAI3 3560/4885GNAO1 1187/4885GNAI1 2959/4885
US-20100105660-A1 ORGANIC COMPOUNDS75074 SCNN1A, TRPM4, TRPV4 GNAI3 2627/4885GNAO1 978/4885GNAI1 2641/4885

“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.