SCHEMBL3288392

SCHEMBL3288392

NCc1cccnc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
EPHX2 P34913 1/20 0.40
RBP4 P02753 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HSD11B1 P28845 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
MAP4K4 O95819 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3296150 0.92 MAP4K4 (0.41) PDE10AEPHX2RBP4HSD11B1KMT2A
SCHEMBL3289773 0.85 KMT2A (0.40) PDE10AEPHX2RBP4KMT2AKDM4E
SCHEMBL16814991 0.81 KMT2A (0.43) PDE10AKMT2AKDM4ERECQLJAK2
SCHEMBL30607688 0.81 DPP4 (0.39) EPHX2RBP4KMT2AKDM4ERECQL
SCHEMBL3287105 0.79 CYP1A2 (0.49) KMT2AKDM4ESCN10AALDH1A1
SCHEMBL3591651 0.79 CYP1A2 (0.45) KMT2ASCN10A
SCHEMBL30912118 0.79 CYP1A2 (0.49) KMT2AKDM4ESCN10AALDH1A1
SCHEMBL30607662 0.78 PIK3CA (0.41) PDE10APIK3CAMTORKMT2AMAP4K4
SCHEMBL30607703 0.78 KMT2A (0.40) PDE10AKMT2AKDM4ERECQLJAK2
SCHEMBL326093 0.77 CYP1A2 (0.51) KMT2AKDM4ESCN10AALDH1A1

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 8 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
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US 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 1854/4885EPHX2 1385/4885RBP4 1798/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 PDE10A 1854/4885EPHX2 1385/4885RBP4 1798/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 PDE10A 1854/4885EPHX2 1385/4885RBP4 1798/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 PDE10A 1946/4885EPHX2 1355/4885RBP4 1780/4885

“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.