SCHEMBL3288391

SCHEMBL3288391

CC(C)(C)OC(=O)N1CCCN(c2ncccc2C#N)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PANK3 Q9H999 1/20 0.52
PDE10A Q9Y233 1/20 0.51
GPR119 Q8TDV5 2/20 0.50
MAPT P10636 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
RECQL P46063 1/20 0.50
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL3538823 0.96 KDM4E (0.59) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL2457525 0.84 CKS1B (0.53) MEN1KMT2AALDH1A1GPR119MAPT
SCHEMBL3503998 0.82 PDE10A (0.52) MEN1KMT2APDE10AGPR119CKS1B
SCHEMBL8923132 0.82 POLB (0.55) PDE10AGPR119CKS1BSKP1SKP2
SCHEMBL2717202 0.81 POLB (0.50) KDM4EALDH1A1TDP1PDE10AGPR119
SCHEMBL18838032 0.81 NR1H2 (0.55) PDE10AGPR119NR1H2NR1H3CKS1B
SCHEMBL3287405 0.80 PDE10A (0.51) MEN1KMT2APDE10AGPR119CKS1B
SCHEMBL3436722 0.79 POLB (0.57) PDE10AGPR119CKS1BSKP1SKP2
SCHEMBL2715768 0.79 POLB (0.57) ALDH1A1PDE10AGPR119MAPTCKS1B
SCHEMBL31046329 0.79 POLB (0.57) ALDH1A1PDE10AGPR119MAPTCKS1B

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 MEN1 3637/4885KMT2A 3615/4885KDM4E 3458/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 MEN1 3637/4885KMT2A 3615/4885KDM4E 3458/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 MEN1 3637/4885KMT2A 3615/4885KDM4E 3458/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 MEN1 3688/4885KMT2A 3536/4885KDM4E 3452/4885

“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.