SCHEMBL3289773

SCHEMBL3289773

NCc1cccnc1N1CCC(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
PDE10A Q9Y233 1/20 0.39
GRM4 Q14833 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RBP4 P02753 1/20 0.37
EPHX2 P34913 1/20 0.37
NEK2 P51955 1/20 0.37
MALT1 Q9UDY8 2/20 0.36
ELANE P08246 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL16814991 0.86 KMT2A (0.43) KMT2AKDM4ERECQLPDE10ANEK2
SCHEMBL3288392 0.85 PDE10A (0.43) KMT2AKDM4ERECQLPDE10AALDH1A1
SCHEMBL30607688 0.85 DPP4 (0.39) KMT2AKDM4ERECQLALDH1A1RBP4
SCHEMBL15966078 0.84 MALT1 (0.48) KMT2AKDM4ERECQLPDE10AALDH1A1
SCHEMBL3291005 0.84 GRM4 (0.43) KMT2AKDM4EPDE10AGRM4ALDH1A1
SCHEMBL30912118 0.83 CYP1A2 (0.49) KMT2AKDM4EALDH1A1
SCHEMBL3591651 0.83 CYP1A2 (0.45) KMT2A
SCHEMBL3287105 0.83 CYP1A2 (0.49) KMT2AKDM4EALDH1A1
SCHEMBL3296150 0.83 MAP4K4 (0.41) KMT2APDE10ARBP4EPHX2METAP2
SCHEMBL3287525 0.83 CYP1A2 (0.52) KDM4E

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 KMT2A 3615/4885KDM4E 3458/4885RECQL 786/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 KMT2A 3615/4885KDM4E 3458/4885RECQL 786/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KMT2A 3615/4885KDM4E 3458/4885RECQL 786/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KMT2A 3536/4885KDM4E 3452/4885RECQL 837/4885

“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.