SCHEMBL3288576

SCHEMBL3288576

N#Cc1cccnc1N1CC2CC1CO2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
GRM4 Q14833 3/20 0.45
SOS1 Q07889 4/20 0.44
MAP3K12 Q12852 2/20 0.42
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
GRM1 Q13255 1/20 0.40
DRD2 P14416 3/20 0.39
HTR2A P28223 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GRM5 P41594 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL23344649 0.73 GRM4 (0.45) PDE10AGRM4MAP3K12HTR2A
SCHEMBL4697552 0.70 SOS1 (0.44) SOS1MAP3K12DRD2
SCHEMBL27073794 0.70 MAP3K12 (0.42) GRM4SOS1MAP3K12
SCHEMBL30556695 0.70 GRM1 (0.60) KDM4ERECQLGRM1DRD2HTR2A
SCHEMBL27072976 0.69 MAP3K12 (0.41) SOS1MAP3K12
SCHEMBL23328002 0.68 MTOR (0.48) KDM4ERECQLALDH1A1MAPT
SCHEMBL30882119 0.68 MTOR (0.48) KDM4ERECQLALDH1A1MAPT
SCHEMBL3290456 0.68 KDM4E (0.58) KDM4ERECQLGRM1DRD2HTR2A
SCHEMBL30267157 0.68 CHRNB2 (0.55) MAP3K12
SCHEMBL3287570 0.67 KDM4E (0.50) KDM4ERECQLGRM1DRD2HTR2A

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 PDE10A 1854/4885GRM4 218/4885SOS1 4497/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 PDE10A 1854/4885GRM4 218/4885SOS1 4497/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 PDE10A 1854/4885GRM4 218/4885SOS1 4497/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 PDE10A 1946/4885GRM4 233/4885SOS1 4591/4885

“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.