SCHEMBL3294181

SCHEMBL3294181

CN1CCCC(Oc2ncccc2CN)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
SSTR4 P31391 4/20 0.43
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
LRRK2 Q5S007 1/20 0.39
SSTR1 P30872 1/20 0.39
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL3288370 0.94 SSTR4 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3287106 0.87 LRRK2 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL2600006 0.82 LOX (0.47) LRRK2
SCHEMBL23753937 0.79 LOX (0.39)
SCHEMBL3287623 0.79 MEN1 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3288839 0.78 SSTR4 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23609421 0.74 SSTR4 (0.50) SSTR4LRRK2SSTR1
SCHEMBL23708456 0.73 SSTR4 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL17339931 0.73 PDE3B (0.49) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL21486437 0.71 HRH1 (0.53)

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-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 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 (4 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 CHRM2 30/4885CHRM1 42/4885CHRM3 34/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CHRM2 30/4885CHRM1 42/4885CHRM3 34/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CHRM2 30/4885CHRM1 42/4885CHRM3 34/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CHRM2 29/4885CHRM1 39/4885CHRM3 35/4885

“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.